SCHEMBL9996107

SCHEMBL9996107

SC(CCc1ccccc1)n1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 8/20 0.50
▸ CYP17A1 P05093 5/20 0.48
▸ CYP24A1 Q07973 1/20 0.47
▸ CYP3A4 P08684 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ TBXAS1 P24557 1/20 0.45
▸ QPCT Q16769 1/20 0.45
▸ CYP4Z1 Q86W10 1/20 0.45
▸ QPCTL Q9NXS2 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43

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
Hydrochloric Acid SCHEMBL9996046 0.98 CYP19A1 (0.49) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL9996088 0.82 CYP19A1 (0.59) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
SCHEMBL11768069 0.82 CYP24A1 (0.46) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
SCHEMBL5329705 0.81 CYP24A1 (0.48) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
SCHEMBL29283781 0.81 CYP19A1 (0.50) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
SCHEMBL5305103 0.81 KDM4E (0.55) CYP19A1CYP17A1CYP24A1POLB
SCHEMBL5301494 0.78 CYP19A1 (0.55) CYP19A1CYP17A1CYP24A1CYP11B1CYP11B2
SCHEMBL19494230 0.78 CYP19A1 (0.51) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
SCHEMBL5295918 0.77 CYP19A1 (0.54) CYP19A1CYP17A1CYP24A1
Dimethylamine SCHEMBL10651852 0.77 KDM4E (0.54) CYP19A1CYP17A1CYP24A1POLB

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-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 — — US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 — — 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 CYP19A1 884/4885CYP17A1 488/4885CYP24A1 1080/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 641/4885CYP17A1 556/4885CYP24A1 1700/4885

“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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