SCHEMBL18312467

SCHEMBL18312467

C1=CC(c2ccc3cc[nH]c3c2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.40
CMA1 P23946 1/20 0.40
TYR P14679 1/20 0.40
ENPP2 Q13822 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2A6 P11509 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL21531692 1.00 AHR (0.40) AHRCMA1TYRENPP2MEN1
SCHEMBL20561318 0.89 AHR (0.39) AHRCYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL20561320 0.89 AHR (0.39) AHRCYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL20561584 0.89 AHR (0.39) AHRCYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL18304585 0.76 KDM4E (0.49) SLC6A2SLC6A4SLC6A3KDM4EKDM1A
SCHEMBL5404857 0.76 KDM4E (0.49) SLC6A2SLC6A4SLC6A3KDM4EKDM1A
SCHEMBL4840001 0.75 AHR (0.40) AHRCMA1TYRENPP2MEN1
SCHEMBL15566771 0.72 AHR (0.50) AHRCMA1TYRENPP2MEN1
SCHEMBL20561325 0.67 ATM (0.42) SLC6A2SLC6A4SLC6A3KDM1ATRPA1
SCHEMBL18312349 0.67 HTR3A (0.40) POLBCYP2A6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464861-B2 Asymmetric addition reactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-11-05 US disclosed
EP-3307698-B1 ASYMMETRIC ADDITION REACTIONS UNIV OXFORD INNOVATION LTD (GB) 2019-09-18 EP disclosed
WO-2016198836-A1 ASYMMETRIC ADDITION REACTIONS ISIS INNOVATION LIMITED (GB) 2016-12-15 WO 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-10464861-B2 Asymmetric addition reactions CSPP1, CCRL2, CBR3 AHR 452/4885CMA1 175/4885TYR 1450/4885

“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.