SCHEMBL335140

SCHEMBL335140

CC(NCCN)c1ccccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
TSHR P16473 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
MAPKAPK2 P49137 1/20 0.38
IDO1 P14902 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
SMPD1 P17405 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL18575556 0.87 SLC6A2 (0.42) POLBTSHRTAAR1CYP3A4LMNA
SCHEMBL1132828 0.85 POLB (0.44) POLBTSHRGABRA1GABRB2IDO1
SCHEMBL4135919 0.84 POLB (0.62) POLBTSHRGABRA1GABRB2MAPKAPK2
SCHEMBL334869 0.80 POLB (0.38) POLBTSHRGABRA1GABRB2IDO1
SCHEMBL27381281 0.79 POLB (0.66) POLBTSHRGABRA1GABRB2MAPKAPK2
SCHEMBL335275 0.79 ADRB2 (0.47) POLBIDO1TAAR1CYP3A4LMNA
SCHEMBL18095786 0.79 POLB (0.60) POLBTSHRGABRA1GABRB2MAPKAPK2
SCHEMBL22103746 0.78 POLB (0.55) POLBTSHRGABRA1GABRB2MAPKAPK2
SCHEMBL15130966 0.78 OPRM1 (0.67) POLBTSHRGABRA1GABRB2CYP3A4
SCHEMBL335035 0.77 CA1 (0.53) IDO1TAAR1LMNACHRM2OPRM1

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-A Demulsifier and preparation method thereof and the application in asphaltenes thick oil emulsion breaking 中国石油化工股份有限公司 2019-10-29 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 POLB 3348/4885TSHR 1567/4885GABRA1 2354/4885

“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.