SCHEMBL3235003

SCHEMBL3235003

CC1=CC(C)(C)Nc2c1ccc1c2OCO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ AR P10275 4/20 0.38
▸ NR3C1 P04150 3/20 0.38
▸ NR3C2 P08235 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ NQO2 P16083 1/20 0.35

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
SCHEMBL6650129 0.70 ALDH1A1 (0.46) PGRALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL15334115 0.67 GSK3B (0.42) ALDH1A1HSD17B10TDP1KDM4EMEN1
SCHEMBL5504578 0.66 CES1 (0.46) PGRALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL7271090 0.65 NQO2 (0.38) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL8024917 0.65 ALDH1A1 (0.56) PGRALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL24104845 0.65 CES1 (0.43) ALDH1A1KDM4EKMT2AMAPTNQO2
SCHEMBL26649009 0.65 ALDH1A1 (0.51) PGRALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL2195125 0.63 NQO2 (0.42) ALDH1A1HSD17B10CYP3A4TDP1NQO2
SCHEMBL10840500 0.62 ALDH1A1 (0.53) PGRALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL4393538 0.62 NQO2 (0.36) ALDH1A1HSD17B10CYP3A4TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116538-B1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-27 — — EP disclosed
US-8367695-B2 Condensed tetrahydroquinoline derivative and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-05 — — US disclosed
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 — — US disclosed
EP-2116538-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-11-11 — — 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-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES NR3C2, MC2R, NR5A1 PGR 11/4885ALDH1A1 2265/4885HSD17B10 251/4885

“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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