SCHEMBL2704221

SCHEMBL2704221

COC(=O)c1ccc(I)c(C(=O)c2ccccc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PYGL P06737 1/20 0.49
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2705243 0.89 ALDH1A1 (0.55) KMT2AALDH1A1L3MBTL1PYGLPOLB
SCHEMBL2704285 0.86 ALDH1A1 (0.45) KMT2AALDH1A1L3MBTL1PYGLKDM4E
SCHEMBL28215241 0.82 KDM4E (0.46) KMT2AALDH1A1PYGLPOLBTSHR
SCHEMBL27707943 0.78 KDM4E (0.58) KMT2AALDH1A1TSHRKDM4EMAPT
SCHEMBL17400893 0.77 CA1 (0.52) KMT2AALDH1A1L3MBTL1POLBTSHR
SCHEMBL4129856 0.76 KDM4E (0.50) KMT2AALDH1A1TSHRKDM4EMAPT
SCHEMBL1401556 0.75 KDM4E (0.58) KMT2AALDH1A1L3MBTL1PYGLPOLB
SCHEMBL4238456 0.75 ALDH1A1 (0.67) KMT2AALDH1A1L3MBTL1PYGLTSHR
SCHEMBL10995760 0.75 KCNMA1 (0.51) KMT2AALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL10047545 0.74 ALDH1A1 (0.55) KMT2AALDH1A1L3MBTL1PYGLPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092029-A1 LIGAND-ENABLED SCALABLE C-H HYDROXYLATION OF BENZOIC AND PHENYLACETIC ACIDS AT ROOM TEMPERATURE SCRIPPS RESEARCH INST (US) 2026-04-02 — — US claimed
EP-4584236-A1 LIGAND-ENABLED SCALABLE C-H HYDROXYLATION OF BENZOIC AND PHENYLACETIC ACIDS AT ROOM TEMPERATURE The Scripps Research Institute (US) 2025-07-16 — — EP claimed
WO-2024054881-A1 LIGAND-ENABLED SCALABLE C-H HYDROXYLATION OF BENZOIC AND PHENYLACETIC ACIDS AT ROOM TEMPERATURE THE SCRIPPS RESEARCH INSTITUTE (US) 2024-03-14 — — WO claimed
US-20260092029-A1 LIGAND-ENABLED SCALABLE C-H HYDROXYLATION OF BENZOIC AND PHENYLACETIC ACIDS AT ROOM TEMPERATURE SCRIPPS RESEARCH INST (US) 2026-04-02 — — US disclosed
EP-4584236-A1 LIGAND-ENABLED SCALABLE C-H HYDROXYLATION OF BENZOIC AND PHENYLACETIC ACIDS AT ROOM TEMPERATURE The Scripps Research Institute (US) 2025-07-16 — — EP disclosed
US-20250188046-A1 ULTRAFAST FLOW SYNTHESIS OF FUNCTIONALIZED SULFONYL FLUORIDES AND SUBSEQUENT SUFEX CONNECTIONS VIA LITHIATED CHEMISTRY POSTECH Research and Business Development Foundation (KR) 2025-06-12 — — US disclosed
CN-118930483-A Synthesis method of isoquinolone selenocyanate 新疆大学 2024-11-12 — — CN disclosed
US-20240308931-A1 LIGAND-CONTROLLED DIVERGENT DEHYDROGENATIVE REACTIONS OF ALIPHATIC ACIDS THE SCRIPPS RESEARCH INSTITUTE 2024-09-19 — — US disclosed
EP-4370490-A1 LIGAND-CONTROLLED DIVERGENT DEHYDROGENATIVE REACTIONS OF ALIPHATIC ACIDS The Scripps Research Institute (US) 2024-05-22 — — EP disclosed
WO-2024054881-A1 LIGAND-ENABLED SCALABLE C-H HYDROXYLATION OF BENZOIC AND PHENYLACETIC ACIDS AT ROOM TEMPERATURE THE SCRIPPS RESEARCH INSTITUTE (US) 2024-03-14 — — WO disclosed
US-20240083906-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARM INC (US) 2024-03-14 — — US disclosed
US-7572784-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-11 — — US disclosed
EP-1771450-B9 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE MILLENNIUM PHARM INC (US) 2008-12-24 — — EP disclosed
EP-1905773-A2 Compounds and methods for inhibiting mitotic progression by inhibition of aurora kinase MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-02 — — EP disclosed
EP-1771450-B1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE MILLENNIUM PHARM INC (US) 2007-12-19 — — EP disclosed
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 — — US disclosed
CN-101014603-A Compounds and methods for inhibiting mitosis by inhibiting aurora kinase MILLENNIUM PHARM INC (US) 2007-08-08 — — CN disclosed
EP-1771450-A2 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-04-11 — — EP disclosed
WO-2005111039-A2 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-24 — — WO disclosed
US-20050256102-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240308931-A1 LIGAND-CONTROLLED DIVERGENT DEHYDROGENATIVE REACTIONS OF ALIPHATIC ACIDS PPARD, PPARA, PDCD1LG2 KMT2A 2724/4885ALDH1A1 144/4885L3MBTL1 3248/4885
US-20260092029-A1 LIGAND-ENABLED SCALABLE C-H HYDROXYLATION OF BENZOIC AND PHENYLACETIC ACIDS AT ROOM TEMPERATURE CYP2B6, CYP2A6, CYP1A1 KMT2A 3199/4885ALDH1A1 137/4885L3MBTL1 3945/4885
US-20250188046-A1 ULTRAFAST FLOW SYNTHESIS OF FUNCTIONALIZED SULFONYL FLUORIDES AND SUBSEQUENT SUFEX CONNECTIONS VIA LITHIATED CHEMISTRY FGFR4, STS, FGFR1 KMT2A 3575/4885ALDH1A1 1626/4885L3MBTL1 4266/4885
US-20050256102-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB KMT2A 628/4885ALDH1A1 3815/4885L3MBTL1 2658/4885
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB KMT2A 628/4885ALDH1A1 3815/4885L3MBTL1 2658/4885
US-20240083906-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB KMT2A 628/4885ALDH1A1 3815/4885L3MBTL1 2658/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback