SCHEMBL16147485

SCHEMBL16147485

COc1ccc(-c2ccc(Cc3nc4ccccc4[nH]3)cc2)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 1/20 0.52
GRIN1 Q05586 2/20 0.51
GRIN2B Q13224 2/20 0.51
HSD17B10 Q99714 2/20 0.51
NTRK1 P04629 4/20 0.51
NTRK2 Q16620 4/20 0.51
TSHR P16473 1/20 0.49
MAPK10 P53779 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL16148690 0.85 POLB (0.81) POLBGAASMN1; SMN2PKMGRIN1
SCHEMBL16147888 0.82 POLB (0.65) POLBGAASMN1; SMN2PKMGRIN1
SCHEMBL16147978 0.80 POLB (0.64) POLBGAASMN1; SMN2PKMGRIN1
SCHEMBL16147252 0.79 ALDH1A1 (0.62) GAASMN1; SMN2PKMGRIN1GRIN2B
SCHEMBL18535239 0.78 POLB (1.00) POLBGAASMN1; SMN2PKMGRIN1
SCHEMBL16147970 0.78 GRIN1 (0.63) POLBGAASMN1; SMN2GRIN1GRIN2B
SCHEMBL16148199 0.77 POLB (0.61) POLBGAASMN1; SMN2PKMGRIN1
SCHEMBL4829691 0.77 GAA (0.58) POLBGAASMN1; SMN2PKMGRIN1
SCHEMBL17498750 0.76 POLB (0.59) POLBGAASMN1; SMN2PKMGRIN1
SCHEMBL16147829 0.76 POLB (0.58) POLBGAASMN1; SMN2PKMGRIN1

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
EP-3514147-A1 STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2019-07-24 EP disclosed
US-9694005-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-04 US disclosed
EP-2991644-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2016-03-09 EP disclosed
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-11 US disclosed
WO-2014165815-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-09 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 (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-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 POLB 2990/4885GAA 3428/4885SMN1; SMN2 106/4885

“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.