SCHEMBL12301554

SCHEMBL12301554

CCNCCCc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
CYP1A2 P05177 2/20 0.53
CYP2A6 P11509 1/20 0.53
MC4R P32245 3/20 0.53
MC5R P33032 3/20 0.53
MC3R P41968 2/20 0.53
MC1R Q01726 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
BCHE P06276 2/20 0.46
TPSAB1 Q15661 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL23710478 0.93 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2A6MC4RMC5R
SCHEMBL21447597 0.89 CYP1A2 (0.57) SIGMAR1CYP1A2CYP2A6MC4RMC5R
SCHEMBL9373302 0.84 SIGMAR1 (0.68) SIGMAR1CYP1A2MC4RMC5RMC3R
SCHEMBL9666471 0.82 SIGMAR1 (0.59) SIGMAR1CYP1A2CYP2A6MC4RMC5R
SCHEMBL23330225 0.82 SIGMAR1 (0.59) SIGMAR1CYP1A2CYP2A6MC4RMC5R
SCHEMBL8091487 0.81 SIGMAR1 (0.70) SIGMAR1
SCHEMBL597668 0.80 SIGMAR1 (0.65) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL29663820 0.80 SIGMAR1 (0.65) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL140016 0.79 CYP1A2 (0.68) SIGMAR1CYP1A2CYP2A6BCHE
SCHEMBL30418669 0.79 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2A6MC4RMC5R

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-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 SIGMAR1 4822/4885CYP1A2 1525/4885CYP2A6 1502/4885

“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.