SCHEMBL7041987

SCHEMBL7041987

C#Cc1ccc(C(C)(C)C)c(Oc2ccc(CC)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
AR P10275 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SOD1 P00441 1/20 0.31
PDE2A O00408 1/20 0.31
HSP90AB1 P08238 1/20 0.31
TEAD1 P28347 1/20 0.31
ESRRA P11474 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7048206 0.84 AR (0.46) ARTDP1L3MBTL1TEAD1ESRRA
SCHEMBL7048267 0.82 ICAM1 (0.34) CYP2A6ICAM1SELEVCAM1SMN1; SMN2
SCHEMBL7044482 0.81 L3MBTL1 (0.40) ICAM1SELERAB9AARL3MBTL1
SCHEMBL7044749 0.79 ALDH1A1 (0.45) RAB9ATDP1L3MBTL1ESRRAALDH1A1
SCHEMBL7041285 0.78 PTGDR2 (0.38) ICAM1SELEVCAM1SMN1; SMN2NPC1
SCHEMBL7043413 0.77 NR1H4 (0.44) SMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL12401774 0.77 FFAR1 (0.43) L3MBTL1HSP90AB1ALDH1A1
SCHEMBL7041988 0.77 AR (0.43) ARTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL25764568 0.74 LMNA (0.43) ARALDH1A1LMNAMAPTHPGD
SCHEMBL7048209 0.71 AR (0.47) SMN1; SMN2NPC1RAB9AARTDP1

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 5 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
US-5919970-A Substituted diaryl or diheteroaryl methanes, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity ALLERGAN SALES, INC. (US) 1999-07-06 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 CYP2A6 472/4885ICAM1 4353/4885SELE 3141/4885

“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.