SCHEMBL16148339

SCHEMBL16148339

COc1cccc(-c2ccc(C(C)c3nc4ccccc4[nH]3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
ALDH1A1 P00352 4/20 0.51
HTT P42858 1/20 0.51
MLKL Q8NB16 3/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
LTC4S Q16873 1/20 0.47
LMNA P02545 1/20 0.45
NR1I2 O75469 1/20 0.44
CYP1A2 P05177 1/20 0.44
VDR P11473 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
AHR P35869 1/20 0.44
NR1I3 Q14994 1/20 0.44

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
SCHEMBL14770674 0.85 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HTTMLKLNPC1
SCHEMBL8594223 0.80 MLKL (0.50) SMN1; SMN2ALDH1A1HTTMLKLNPC1
SCHEMBL16148232 0.79 MLKL (0.45) MLKLNPC1RAB9ATP53PKM
SCHEMBL16147710 0.77 MLKL (0.42) SMN1; SMN2ALDH1A1MLKLNPC1RAB9A
SCHEMBL14770549 0.77 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HTTMLKLNPC1
SCHEMBL3397595 0.76 ALPL (0.58) SMN1; SMN2ALDH1A1HTTMLKLNPC1
SCHEMBL16756243 0.76 ALPL (0.58) SMN1; SMN2ALDH1A1HTTMLKLNPC1
SCHEMBL16756501 0.76 ALPL (0.58) SMN1; SMN2ALDH1A1HTTMLKLNPC1
SCHEMBL29212596 0.75 MLKL (0.58) SMN1; SMN2ALDH1A1HTTMLKLNPC1
SCHEMBL29528892 0.75 NPC1 (0.70) SMN1; SMN2ALDH1A1HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 US claimed
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-04-14 US disclosed
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-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 US 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 (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-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 SMN1; SMN2 106/4885ALDH1A1 2392/4885HTT 1667/4885
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 SMN1; SMN2 106/4885ALDH1A1 2392/4885HTT 1667/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 SMN1; SMN2 106/4885ALDH1A1 2392/4885HTT 1667/4885

“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.