SCHEMBL335144

SCHEMBL335144

CC(NCCN)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.45
ESR2 Q92731 2/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
HIF1A Q16665 4/20 0.44
TAAR1 Q96RJ0 3/20 0.44
HTR3A P46098 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
LMNA P02545 4/20 0.44
SLC6A2 P23975 4/20 0.44
OPRM1 P35372 4/20 0.44
SLC6A4 P31645 3/20 0.44
CYP2D6 P10635 3/20 0.44
ADRA1A P35348 3/20 0.44
SLC6A3 Q01959 3/20 0.44
ADRB2 P07550 2/20 0.44
GALR3 O60755 1/20 0.44
ADRB1 P08588 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL18575578 0.90 HTR1A (0.50) LMNASLC6A2OPRM1SLC6A4CYP2D6
SCHEMBL18575438 0.82 SMN1; SMN2 (0.47) TAAR1LMNASLC6A2OPRM1SLC6A4
SCHEMBL13137649 0.82 ESR1 (0.47) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL1132349 0.80 CYP3A4 (0.66) TAAR1LMNASLC6A2OPRM1SLC6A4
SCHEMBL4706959 0.80 CYP3A4 (0.66) TAAR1LMNASLC6A2OPRM1SLC6A4
SCHEMBL3927833 0.80 CYP3A4 (0.66) TAAR1LMNASLC6A2OPRM1SLC6A4
SCHEMBL335330 0.79 OPRK1 (0.50) HIF1ATAAR1TSHRNFKB1LMNA
SCHEMBL334407 0.79 OPRK1 (0.50) HIF1ATAAR1TSHRNFKB1LMNA
SCHEMBL334522 0.78 KMT2A (0.41) TSHRLMNASLC6A2OPRM1SLC6A4
SCHEMBL18575437 0.78 PKM (0.57) TAAR1LMNAOPRM1SLC6A4CYP2D6

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
CN-110387035-B Demulsifier, preparation method thereof and application thereof in demulsification of thick oil containing asphaltene 中国石油化工股份有限公司 2022-01-04 CN disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 ESR1 4268/4885ESR2 4443/4885PDCD1 2475/4885

“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.