SCHEMBL18867916

SCHEMBL18867916

COc1cc(C)c(CC(C)C)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.50
P2RX3 P56373 1/20 0.45
P2RX2 Q9UBL9 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
TRAP1 Q12931 1/20 0.43
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL10019206 0.90 MAPT (0.49) HTR2ATAAR1
SCHEMBL10190393 0.86 TAAR1 (0.56) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL28663880 0.84 HTR2A (0.47) HTR2ATAAR1TRAP1
SCHEMBL5300541 0.84 HTR2A (0.72) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL26782443 0.83 HTR2A (0.50) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL14113379 0.83 HTR2A (0.70) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL12722553 0.81 HTR2A (0.44) HTR2A
SCHEMBL26053886 0.80 TAAR1 (0.46) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL18867908 0.78 HTR2A (0.48) HTR2AP2RX3P2RX2TAAR1HTR1A
SCHEMBL21102072 0.78 HTR2A (0.56) HTR2AP2RX3P2RX2TAAR1HTR1A

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-20170137341-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-18 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-20170137341-A1 FLUORINATION METHOD F13B, PPARG, PGC HTR2A 4287/4885P2RX3 1127/4885P2RX2 1003/4885

“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.