SCHEMBL18656335

SCHEMBL18656335

OB(O)c1cc(CF)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.48
IDO1 P14902 2/20 0.37
TRPV6 Q9H1D0 2/20 0.36
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
ENPP2 Q13822 1/20 0.33
CES2 O00748 1/20 0.32
ACP3 P15309 1/20 0.32
MTOR P42345 2/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MLYCD O95822 1/20 0.30
GRIN2B Q13224 1/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL18586306 0.85 MGLL (0.48) MGLLIDO1TRPV6ORAI1ORAI2
SCHEMBL17677146 0.83 MGLL (0.47) MGLLIDO1TRPV6ORAI1ORAI2
SCHEMBL30002291 0.83 MGLL (0.47) MGLLIDO1TRPV6ORAI1ORAI2
SCHEMBL28378199 0.81 ENPP2 (0.41) MGLLENPP2
SCHEMBL126169 0.81 MGLL (0.61) MGLLIDO1TRPV6ORAI1ORAI2
SCHEMBL16164272 0.81 MGLL (0.61) MGLLIDO1TRPV6ORAI1ORAI2
SCHEMBL28896242 0.79 MGLL (0.59) MGLLIDO1TRPV6ORAI1ORAI2
SCHEMBL30036309 0.79 MGLL (0.59) MGLLIDO1TRPV6ORAI1ORAI2
SCHEMBL24229617 0.79 MGLL (0.43) MGLLIDO1
SCHEMBL5776968 0.79 IDO1 (0.54) IDO1CES2MTORRXRARXRB

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-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-23 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-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods HTR1A, HTR2C, HTR7 MGLL 3917/4885IDO1 202/4885TRPV6 1078/4885

“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.