SCHEMBL7044749

SCHEMBL7044749

C#Cc1ccc(C(C)(C)C)c(Oc2ccc(C(=O)OC)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ESRRA P11474 2/20 0.41
ELANE P08246 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
RAB9A P51151 1/20 0.39
EZH2 Q15910 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
USP10 Q14694 1/20 0.38
LMNA P02545 1/20 0.38
NOTUM Q6P988 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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 0.80 AR (0.46) ALDH1A1MAPTESRRAKMT2AL3MBTL1
SCHEMBL6132134 0.79 CA1 (0.56) ALDH1A1HPGDMAPTCA1CA2
SCHEMBL7041987 0.79 CYP2A6 (0.34) ALDH1A1HPGDMAPTESRRARAB9A
SCHEMBL7044751 0.79 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTKMT2AL3MBTL1
SCHEMBL7044482 0.76 L3MBTL1 (0.40) MAPTRAB9AL3MBTL1LMNA
SCHEMBL7043413 0.76 NR1H4 (0.44) ALDH1A1MAPTNR1H4KMT2AL3MBTL1
SCHEMBL8333578 0.75 ALDH1A1 (0.39) ALDH1A1HPGDNPSR1MAPTNR1H4
SCHEMBL255356 0.74 CA1 (0.57) ALDH1A1HPGDMAPTCA1CA2
SCHEMBL25764568 0.73 LMNA (0.43) ALDH1A1HPGDMAPTCA1CA2
SCHEMBL10896439 0.73 USP2 (0.49) ALDH1A1MAPTCA1CA2RAB9A

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 ALDH1A1 2168/4885HPGD 2904/4885NPSR1 508/4885

“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.