SCHEMBL20085626

SCHEMBL20085626

CCc1ccc(OCc2ccccc2C(=O)I)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.50
▸ RXRB P28702 1/20 0.50
▸ OPRM1 P35372 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ OPRL1 P41146 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ FFAR4 Q5NUL3 3/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ FPR1 P21462 1/20 0.47
▸ FPR3 P25089 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ HTR1D P28221 1/20 0.47

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
SCHEMBL5989548 0.87 RXRA (0.59) RXRARXRBOPRM1MAPTOPRD1
SCHEMBL23358421 0.85 PARP10 (0.50) RXRARXRBOPRM1MAPTOPRD1
SCHEMBL5989500 0.85 NPC1 (0.56) RXRARXRBOPRM1MAPTOPRD1
SCHEMBL8782089 0.85 RXRA (0.50) RXRARXRBOPRM1MAPTOPRD1
SCHEMBL8782235 0.82 FFAR1 (0.47) RXRARXRBOPRM1MAPTOPRD1
SCHEMBL8185347 0.82 KDM4E (0.53) RXRARXRBOPRM1MAPTOPRD1
SCHEMBL7275027 0.76 TSHR (0.53) FFAR4MAOBNPC1RAB9AKMT2A
SCHEMBL7275470 0.75 TSHR (0.51) MAPTFFAR4S1PR1MAOBNPC1
SCHEMBL18182225 0.74 FFAR1 (0.49) RXRARXRBMAPTFFAR4MAOB
SCHEMBL8593937 0.74 FFAR1 (0.40) RXRARXRBOPRM1MAPTOPRD1

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-10308652-B2 Tricyclic heterocyclic compounds useful as inhibitors of TNF BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-04 — — US disclosed
US-20180111937-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF BRISTOL MYERS SQUIBB CO (US) 2018-04-26 — — 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 (2 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-20180111937-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF TNF, TNFRSF1A, TNFRSF9 RXRA 97/4885RXRB 115/4885OPRM1 2544/4885
US-10308652-B2 Tricyclic heterocyclic compounds useful as inhibitors of TNF TNF, TNFRSF1A, TNFRSF9 RXRA 97/4885RXRB 115/4885OPRM1 2544/4885

“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.

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