SCHEMBL14075834

SCHEMBL14075834

CC(C)=CCC[C@@H](C)c1c2nc3ccccc3sc-2c(C)c(=O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MSR1 P21757 1/20 0.55
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ SRC P12931 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ HSF1 Q00613 2/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ AGER Q15109 1/20 0.34
▸ ADORA1 P30542 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL19772656 0.71 ICMT (0.37) MSR1CYP1A2CYP2C19RAB9ANPC1
SCHEMBL16079453 0.71 DDAH1 (0.41) CYP1A2RAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL17519501 0.70 MAPT (0.38) CYP1A2CYP2C19RAB9ANPC1RXFP1
SCHEMBL16071181 0.70 MAPT (0.38) CYP1A2CYP2C19RAB9ANPC1RXFP1
SCHEMBL10500123 0.69 KAT2A (0.41) RAB9ANPC1SMN1; SMN2ALOX15TSHR
SCHEMBL10592292 0.67 MAPT (0.40) CYP1A2CYP2C19RAB9ANPC1SMN1; SMN2
SCHEMBL16079437 0.67 APP (0.38) RAB9ANPC1ALOX5SMN1; SMN2MAPT
SCHEMBL14075827 0.67 MSR1 (0.43) MSR1SRCPTPN1TSHRKDM4E
SCHEMBL9813146 0.66 SMN1; SMN2 (0.46) RAB9ANPC1RXFP1SMN1; SMN2ALOX15
SCHEMBL28421922 0.65 CSNK1D (0.59) RAB9ANPC1SMN1; SMN2TSHRMAPT

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-20080214606-A1 Methods for the Identification and Use of Compounds Suitable for the Treatment of Drug Resistant Cancer Cells The Government of the United States of America as represented by The Secretary of the Dept. of ..... (US) 2008-09-04 — — US disclosed
US-20080214606-A1 Methods for the Identification and Use of Compounds Suitable for the Treatment of Drug Resistant Cancer Cells The Government of the United States of America as represented by The Secretary of the Dept. of ..... (US) 2008-09-04 — — 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 (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-20080214606-A1 Methods for the Identification and Use of Compounds Suitable for the Treatment of Drug Resistant Cancer Cells ABCC1, MCL1, DLD MSR1 2914/4885LOXL2 2677/4885SRC 3031/4885

“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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