SCHEMBL278535

SCHEMBL278535

CCOc1ccc(OCC)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
KDM4E B2RXH2 1/20 0.45
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 2/20 0.40
EPHX1 P07099 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL10843251 0.89 GAA (0.53) KDM4ETSHRKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL27467648 0.86 NQO1 (0.42) NQO1KDM4ETSHRKMT2AALDH1A1
SCHEMBL13990320 0.85 KDM4E (0.49) NQO1KDM4ETSHRKMT2AALDH1A1
SCHEMBL278552 0.81 LMNA (0.42) KDM4EKMT2APTGDR2ALDH1A1MEN1
SCHEMBL6671333 0.81 ALDH1A1 (0.47) KDM4EKMT2APTGDR2ALDH1A1MEN1
SCHEMBL9885324 0.81 KMT2A (0.47) KDM4ETSHRKMT2APTGDR2ALDH1A1
SCHEMBL17688873 0.81 NQO1 (0.48) NQO1KDM4ETSHRKMT2AALDH1A1
SCHEMBL13334896 0.79 NQO1 (0.46) NQO1KDM4ETSHRKMT2AALDH1A1
SCHEMBL5083160 0.79 ALDH1A1 (0.56) NQO1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13334863 0.79 NQO1 (0.46) NQO1TSHRKMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-4631252-A PHOTOGRAPHIC STABILIZERS CIBA-GEIGY AG (CH) 1986-12-23 US disclosed
US-4616082-A PHOTOGRAPHIC STABILIZERS CIBA-GEIGY AG (CH) 1986-10-07 US disclosed
US-4549015-A PHOTOHRAPHIC STABILIZERS CIBA-GEIGY AG (CH) 1985-10-22 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 (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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 NQO1 1815/4885KDM4E 3386/4885TSHR 181/4885
US-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 NQO1 174/4885KDM4E 3124/4885TSHR 2994/4885

“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.