SCHEMBL18177329

SCHEMBL18177329

COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)C1c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 10/20 0.50
KDM4E B2RXH2 5/20 0.50
RXFP1 Q9HBX9 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 4/20 0.45
MAPT P10636 1/20 0.45
FPR1 P21462 3/20 0.43
ALOX15 P16050 2/20 0.43
USP2 O75604 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL681885 0.91 ALDH1A1 (0.53) CYP2C9SMN1; SMN2ALDH1A1KDM4ERXFP1
SCHEMBL2234193 0.73 ANXA2 (0.67) CYP2C9SMN1; SMN2ALDH1A1KDM4ERXFP1
SCHEMBL18963025 0.73 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1KDM4ERXFP1POLB
SCHEMBL15563600 0.71 ALDH1A1 (0.54) CYP2C9ALDH1A1KDM4ERXFP1CYP2C19
SCHEMBL681123 0.70 RXFP1 (0.61) CYP2C9SMN1; SMN2ALDH1A1KDM4ERXFP1
SCHEMBL743730 0.70 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4EPOLBHPGD
SCHEMBL16904814 0.70 TP53 (0.58) CYP2C9SMN1; SMN2ALDH1A1KDM4ERXFP1
SCHEMBL682096 0.69 SMN1; SMN2 (0.56) CYP2C9SMN1; SMN2ALDH1A1RXFP1POLB
SCHEMBL18219843 0.69 TSHR (0.52) SMN1; SMN2ALDH1A1KDM4ERXFP1POLB
SCHEMBL12540672 0.69 MEN1 (0.57) SMN1; SMN2ALDH1A1KDM4ERXFP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016172545-A1 CASTRATION-RESISTANT PROSTATE CANCER NUTECH VENTURES (US) 2016-10-27 WO disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 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-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD CYP2C9 2040/4885SMN1; SMN2 4595/4885ALDH1A1 54/4885

“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.