SCHEMBL16617685

SCHEMBL16617685

COc1cc(OC)c(C(C)CCO)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.38
HTR2A P28223 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL19243000 0.79 ALDH1A1 (0.40) MAPTALDH1A1CA12CA1CA2
SCHEMBL11175185 0.77 ALDH1A1 (0.44) ABCB11MAPK1ALDH1A1
SCHEMBL25275373 0.77 CA12 (0.39) HTR2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL31439746 0.74 ALDH1A1 (0.43) MAPK1SMN1; SMN2ALDH1A1CA12CA1
SCHEMBL11253139 0.74 ADRA1A (0.57) ABCB11HTR2AMAPK1CA12CA1
SCHEMBL11983792 0.73 ALDH1A1 (0.48) KDM4EMAPK1SMN1; SMN2ALDH1A1CA12
SCHEMBL20148897 0.73 ALDH1A1 (0.48) KDM4EMAPK1SMN1; SMN2ALDH1A1CA12
SCHEMBL16617643 0.73 TSHR (0.38) KDM4EMAPK1SMN1; SMN2ALDH1A1USP2
SCHEMBL4661123 0.73 PPARG (0.48) KDM4EMAPK1MAPTCA12CA1
SCHEMBL7198348 0.73 CYP3A4 (0.46) MAPK1SMN1; SMN2USP2CYP3A4

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-9567277-B2 Reagent for enhancing generation of chemical species TOYO GOSEI CO., LTD. (JP) 2017-02-14 US disclosed
US-20150099893-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES OSAKA UNIVERSITY (JP) 2015-04-09 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-20150099893-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES PPOX, CYBB, CBR3 ABCB11 4784/4885HTR2A 4156/4885KDM4E 4434/4885

“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.