SCHEMBL16147474

SCHEMBL16147474

COc1cc2cc(-c3cccc(-c4nc5ccccc5[nH]4)c3)ccc2cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 5/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
RAB9A P51151 4/20 0.54
PKM P14618 2/20 0.54
KMT2A Q03164 3/20 0.53
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CHEK1 O14757 2/20 0.50
CDK4 P11802 2/20 0.50
CCNA2 P20248 2/20 0.50
CCND1 P24385 2/20 0.50
CDK2 P24941 2/20 0.50
CCND3 P30281 2/20 0.50
GUSB P08236 1/20 0.50

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
SCHEMBL16148286 0.92 NPC1 (0.60) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL16147757 0.85 KDM4E (0.55) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL16147588 0.84 KMT2A (0.56) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL16148101 0.84 NPC1 (0.51) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL16147181 0.83 NPC1 (0.70) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL15456540 0.83 CYP1A1 (0.69) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL7395868 0.83 CYP1A1 (0.69) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL16148300 0.81 NPC1 (0.48) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL16147536 0.80 NPC1 (0.57) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL21174663 0.79 CYP19A1 (0.57) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 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-2991644-B1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIV MARYLAND (US) 2020-03-25 EP 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 ALDH1A1 2392/4885KDM4E 1575/4885NPC1 1426/4885
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 ALDH1A1 2392/4885KDM4E 1575/4885NPC1 1426/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 ALDH1A1 2392/4885KDM4E 1575/4885NPC1 1426/4885

“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.