SCHEMBL4877934

SCHEMBL4877934

CCOC(=O)c1ccc(F)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CDC25B P30305 2/20 0.51
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.49
CNR1 P21554 4/20 0.49
CNR2 P34972 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAOB P27338 1/20 0.49
CDC25A P30304 1/20 0.48
CDC25C P30307 1/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 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
SCHEMBL5753438 0.90 TSHR (0.59) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL2569253 0.89 TSHR (0.73) TSHRALDH1A1HSD17B10CDC25BCNR1
SCHEMBL29671336 0.89 TSHR (0.73) TSHRALDH1A1HSD17B10CDC25BCNR1
SCHEMBL6057578 0.84 CNR1 (0.47) TSHRALDH1A1NPC1PKMCNR1
SCHEMBL11273803 0.83 TSHR (0.63) TSHRALDH1A1HSD17B10CDC25BCNR1
SCHEMBL28416763 0.83 TSHR (0.63) TSHRALDH1A1HSD17B10CDC25BNPC1
SCHEMBL9150759 0.82 TSHR (0.73) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL23484418 0.81 TSHR (0.61) TSHRALDH1A1HSD17B10CDC25BNPC1
SCHEMBL28066294 0.81 TSHR (0.49) TSHRALDH1A1HSD17B10CDC25BNPC1
SCHEMBL1096857 0.81 BRD4 (0.50) TSHRALDH1A1HSD17B10KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIAN PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-7268232-B2 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. (US) 2007-09-11 US disclosed
WO-2007092391-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2007-08-16 WO disclosed
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP disclosed
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same ACADIA PHARMACEUTICALS INC. 2007-01-04 US disclosed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US disclosed
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 WO 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 (3 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-20060014739-A1 Androgen receptor modulators and method of treating disease using the same NR5A1, AR, CYP17A1 TSHR 335/4885ALDH1A1 427/4885HSD17B10 65/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA TSHR 348/4885ALDH1A1 404/4885HSD17B10 66/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 TSHR 335/4885ALDH1A1 427/4885HSD17B10 65/4885

“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.