SCHEMBL21066331

SCHEMBL21066331

NC1CC1c1cccc(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HTR2C P28335 2/20 0.61
HTR2A P28223 1/20 0.61
HTR2B P41595 1/20 0.61
MAOB P27338 8/20 0.56
MAOA P21397 7/20 0.56
CYP2C19 P33261 4/20 0.56
CYP2B6 P20813 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
LMNA P02545 2/20 0.56
TAAR1 Q96RJ0 2/20 0.56
CYP3A4 P08684 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
CYP2A6 P11509 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56

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
SCHEMBL11668623 0.81 HTR2A (0.50) KDM1AHDAC6HTR2CHTR2AHTR2B
SCHEMBL526938 0.80 KDM1A (1.00) KDM1AHDAC6MAOBMAOACYP2C9
SCHEMBL29352901 0.80 KDM1A (1.00) KDM1AHDAC6MAOBMAOACYP2C9
SCHEMBL6837351 0.80 KDM1A (1.00) KDM1AHDAC6MAOBMAOACYP2C9
SCHEMBL17512879 0.80 KDM1A (1.00) KDM1AHDAC6MAOBMAOACYP2C9
SCHEMBL526937 0.80 KDM1A (1.00) KDM1AHDAC6MAOBMAOACYP2C9
SCHEMBL15783273 0.80 KDM1A (1.00) KDM1AHDAC6MAOBMAOACYP2C9
SCHEMBL23923444 0.79 HTR2A (0.56) KDM1AHDAC6HTR2CHTR2AHTR2B
SCHEMBL23940041 0.79 HTR2A (0.56) KDM1AHDAC6HTR2CHTR2AHTR2B
SCHEMBL23923443 0.79 HTR2A (0.56) KDM1AHDAC6HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 KDM1A 3825/4885HDAC6 391/4885HTR2C 4391/4885

“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.