SCHEMBL6733430

SCHEMBL6733430

COc1cc(OC)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.57
▸ ABCB1 P08183 4/20 0.57
▸ BCR P11274 4/20 0.57
▸ RXRA P19793 2/20 0.55
▸ RXRB P28702 1/20 0.55
▸ RXRG P48443 1/20 0.55
▸ PTGS1 P23219 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2E1 P05181 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C8 P10632 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50

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
SCHEMBL16906528 0.89 RXRA (0.50) ABL1ABCB1BCRRXRARXRB
SCHEMBL16903667 0.88 RXRA (0.56) ABL1ABCB1BCRRXRARXRB
SCHEMBL16894215 0.87 KIF11 (0.57) ABL1ABCB1BCRRXRARXRB
SCHEMBL3992142 0.85 KIF11 (0.54) RAB9ACYP1A1CYP1B1KIF11MAOB
SCHEMBL16894078 0.84 RXRA (0.52) ABL1ABCB1BCRRXRARXRB
SCHEMBL27962430 0.83 NPSR1 (0.68) ABL1ABCB1BCRKDM4ENPC1
SCHEMBL23910108 0.80 RXRA (0.59) ABL1ABCB1BCRRXRARXRB
SCHEMBL18001609 0.80 RXRA (0.59) ABL1ABCB1BCRRXRARXRB
SCHEMBL13247923 0.80 RXRA (0.55) ABL1ABCB1BCRRXRARXRB
SCHEMBL12952675 0.78 ABL1 (0.56) ABL1ABCB1BCRRXRANPC1

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-6686495-B2 IN PRESENCE OF PALLADIUM CATALYST; USEFUL IN PRODUCING CHEMICAL INTERMEDIATES FOR PHARMACEUTICALS, OPTICAL BRIGHTENING AGENTS AND AGROCHEMICALS OMG AG & CO KG (DE) 2004-02-03 — — US disclosed
US-20020107426-A1 Process for the preparation of mono-, bi- or poly- functional biaryls UMICORE AG & CO. KG (DE) 2002-08-08 — — US disclosed
EP-1199292-A1 Process for the production of mono-, bi- or polyfunctional biaryls OMG AG & Co. KG (DE) 2002-04-24 — — EP 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-20020107426-A1 Process for the preparation of mono-, bi- or poly- functional biaryls CYP4F3, CYP4F2, CYP2F1 ABL1 538/4885ABCB1 766/4885BCR 2181/4885

“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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