SCHEMBL733461

SCHEMBL733461

CCOc1cc(C(=O)O)cc(OCC)c1-c1ccn(C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KDM5C P41229 3/20 0.40
KDM2A Q9Y2K7 3/20 0.40
KDM3A Q9Y4C1 2/20 0.40
POLB P06746 2/20 0.38
CASP6 P55212 1/20 0.38
SSTR5 P35346 6/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM6B O15054 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
KCNH2 Q12809 1/20 0.37
GLA P06280 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
LMNA P02545 1/20 0.36
RXRA P19793 1/20 0.36
HNF4A P41235 1/20 0.36
JMJD6 Q6NYC1 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 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
SCHEMBL731831 0.76 TSHR (0.39) TSHRKDM5CKDM2AKDM3APOLB
SCHEMBL308422 0.71 TSHR (0.44) TSHRPOLBCASP6ALOX15HTT
SCHEMBL14150050 0.67 TSHR (0.39) TSHRPOLBCASP6SSTR5ALOX15
SCHEMBL731308 0.66 MAP4K4 (0.45) TSHRPOLBSSTR5ALOX15HTT
SCHEMBL308415 0.65 ACACB (0.40) TSHRKDM5CKDM2AKDM3APOLB
SCHEMBL1515929 0.65 TSHR (0.59) TSHRPOLBCASP6ALOX15HTT
SCHEMBL504156 0.65 TSHR (0.70) TSHRPOLBALOX15HTTGLA
SCHEMBL9048230 0.65 CA12 (0.62) TSHRPOLBCASP6ALOX15HTT
SCHEMBL29633638 0.65 TSHR (0.59) TSHRPOLBCASP6ALOX15HTT
SCHEMBL10186126 0.65 TSHR (0.59) TSHRPOLBCASP6MRGPRX4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 TSHR 680/4885KDM5C 2011/4885KDM2A 3320/4885

“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.