SCHEMBL9544375

SCHEMBL9544375

CCCOc1ccc(C(=O)OC)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MAPT P10636 2/20 0.62
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MGLL Q99685 1/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.55
PDE4D Q08499 1/20 0.54
SMPD1 P17405 3/20 0.53
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
PRSS1 P07477 1/20 0.51

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
SCHEMBL5216700 0.92 MGLL (0.62) HPGDHSD17B10MAPTCYP1A2CYP3A4
SCHEMBL14930505 0.91 SMPD1 (0.65) HPGDHSD17B10MAPTCYP1A2CYP3A4
SCHEMBL2149738 0.90 MAPT (0.66) HPGDMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL29171439 0.90 SMPD1 (0.67) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9307505 0.90 SMPD1 (0.67) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29171419 0.90 SMPD1 (0.67) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29171402 0.90 SMPD1 (0.67) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29171407 0.90 SMPD1 (0.67) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14930509 0.90 SMPD1 (0.67) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29171438 0.90 SMPD1 (0.67) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283429-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS Janssen Biopharma, Inc. 2017-10-05 US disclosed
US-9724351-B2 Compounds for the treatment of paramoxyvirus viral infections ALIOS BIOPHARMA, INC. (US) 2017-08-08 US disclosed
US-20150238498-A1 COMPOUNDS FOR THE TREATMENT OF PARAMOXYVIRUS VIRAL INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US disclosed
WO-1993018045-A1 ANTI-CANCER PYRROLOBENZODIAZEPINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-09-16 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 (2 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-20150238498-A1 COMPOUNDS FOR THE TREATMENT OF PARAMOXYVIRUS VIRAL INFECTIONS SARS1, MAVS, ZC3HAV1 HPGD 2567/4885HSD17B10 3484/4885MAPT 4529/4885
US-20170283429-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS MAVS, SARS1, ZC3HAV1 HPGD 2844/4885HSD17B10 3992/4885MAPT 4377/4885

“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.