SCHEMBL18917798

SCHEMBL18917798

OCCC#Cc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HCAR2 Q8TDS4 1/20 0.44
PTGDR2 Q9Y5Y4 6/20 0.42
KCNH2 Q12809 1/20 0.42
PGK1 P00558 3/20 0.41
FFAR1 O14842 1/20 0.41
GRM5 P41594 1/20 0.39
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6297820 0.89 KDM4E (0.57) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL3351674 0.85 PTGDR2 (0.46) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL30780880 0.85 PTGDR2 (0.46) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL11234645 0.80 KCNH2 (0.46) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL3410627 0.78 ATM (0.38) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL9083244 0.77 PGK1 (0.46) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL11227888 0.77 CYP3A4 (0.47) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL23908785 0.76 CYP3A4 (0.77) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL19302890 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL2953233 0.76 KDM4E (0.47) ALDH1A1KDM4ECYP1A2CYP3A4MAPT

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
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 WO disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 WO disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS ALDH1A1 4640/4885KDM4E 3955/4885CYP1A2 4882/4885

“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.