SCHEMBL20714286

SCHEMBL20714286

COc1ccc2c(-c3ccccc3C(C)(C)C)c3ccc(=O)cc-3oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ TNKS O95271 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ USP2 O75604 3/20 0.46
▸ POLB P06746 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ PLEC Q15149 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL23463081 0.84 MEN1 (0.67) ALDH1A1KDM4EGAACYP19A1USP2
SCHEMBL19274902 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL20362457 0.81 KDM4E (0.50) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL10205417 0.81 USP2 (0.58) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL16808265 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL15305309 0.81 ABCB1 (0.61) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL15390246 0.77 KMT2A (0.48) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL18504843 0.76 MAOB (0.49) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL16804613 0.76 KDM4E (0.56) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL23623802 0.75 CYP2C9 (0.45) ALDH1A1KDM4ENPC1MAPTRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use ETH ZURICH (CH) 2020-06-02 — — US disclosed
US-20190040036-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZURICH (CH) 2019-02-07 — — 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 (2 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-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use TPO, FANCF, FANCI ALDH1A1 4122/4885KDM4E 3599/4885NPC1 2420/4885
US-20190040036-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE TPO, FANCF, FANCI ALDH1A1 4122/4885KDM4E 3599/4885NPC1 2420/4885

“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.

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