SCHEMBL7044485

SCHEMBL7044485

C#Cc1ccc(C(C)(C)C)c(Oc2ccccc2C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
AR P10275 9/20 0.36
P2RY1 P47900 5/20 0.36
LTA4H P09960 1/20 0.35
PTGS2 P35354 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.34
CYP3A4 P08684 1/20 0.34
ESRRA P11474 1/20 0.34

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
SCHEMBL7048209 0.84 AR (0.47) IDO1AR
SCHEMBL7041988 0.81 AR (0.43) AR
SCHEMBL7040375 0.79 IDO1 (0.41) IDO1ARP2RY1LTA4HPTGS2
SCHEMBL7044482 0.79 L3MBTL1 (0.40) ARP2RY1
SCHEMBL7043417 0.78 HPGD (0.49) LTA4HPTGS2
SCHEMBL7044751 0.77 ALDH1A1 (0.46) IDO1P2RY1
SCHEMBL25005710 0.76 TRPV4 (0.37) ARPTGS2
SCHEMBL7041843 0.75 RXRA (0.51) IDO1
SCHEMBL25764568 0.75 LMNA (0.43) ARCYP3A4
SCHEMBL1685381 0.74 LTA4H (0.46) IDO1P2RY1LTA4HPTGS2MRGPRX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660755-B2 Controlling cell proliferation agent; skin disorders; antiinflamamtory agents ALLERGAN, INC. 2003-12-09 US disclosed
US-20030109687-A1 Substituted diaryl or diheteroaryl methans, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity ALLERGAN, INC. 2003-06-12 US disclosed
US-6455701-B1 SUCH AS 4-((4'-TERT-BUTYL-3'-(4?-TRIFLUOROMETHYL)PHENOXY) PHENYLETHYNYL)BENZOIC ACID; SIDE EFFECT REDUCTION ALLERGAN, INC. 2002-09-24 US disclosed
US-6187950-B1 A REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES ALLERGAN, INC. 2001-02-13 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-20030109687-A1 Substituted diaryl or diheteroaryl methans, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity RXRB, RXRA, RXRG IDO1 3174/4885AR 67/4885P2RY1 843/4885

“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.