SCHEMBL6673357

SCHEMBL6673357

O=C(O)C(=O)C1(c2ccccc2)CCCC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1C1 Q04828 1/20 0.70
▸ HDAC4 P56524 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ HSD11B1 P28845 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ HTT P42858 2/20 0.53
▸ LMNA P02545 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ P2RX7 Q99572 1/20 0.47
▸ APOBEC3A P31941 2/20 0.46
▸ APOBEC3G Q9HC16 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL6672119 0.98 AKR1C1 (0.68) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL65167 0.83 AKR1C1 (1.00) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL3107522 0.83 AKR1C1 (0.76) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL9577294 0.82 AKR1C1 (0.48) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL9577271 0.82 HDAC4 (0.62) AKR1C1HDAC4HSD11B1ALDH1A1HDAC1
SCHEMBL19249602 0.81 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2AHSD11B1
Hydrochloric Acid SCHEMBL8315894 0.81 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL66387 0.81 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL1041902 0.81 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL2440267 0.81 AKR1C1 (0.73) AKR1C1HDAC4MEN1KMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 — — US disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 — — WO disclosed
EP-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 — — EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 — — US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 — — EP 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 (1 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN AKR1C1 485/4885HDAC4 648/4885MEN1 40/4885

“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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