SCHEMBL7044839

SCHEMBL7044839

CCc1ccc(Oc2cc(Br)ccc2C(C)(C)C)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
PDE2A O00408 1/20 0.31
CCR5 P51681 1/20 0.30

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
SCHEMBL7044665 0.82 ALDH1A1 (0.45) PTGDR2ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL7041285 0.80 PTGDR2 (0.38) PTGDR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL16344881 0.76 IDO1 (0.41) GAAPTGDR2ALDH1A1L3MBTL1MAPK1
SCHEMBL7041287 0.73 AR (0.43) GAAPTGDR2ALDH1A1L3MBTL1LMNA
SCHEMBL18758863 0.70 PTGDR2 (0.47) GAAPTGDR2ALDH1A1L3MBTL1MAPK1
SCHEMBL23732418 0.68 MAPK1 (0.44) GAAALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL7044342 0.68 AR (0.40) PTGDR2ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL31588838 0.68 PTGS2 (0.48) ALDH1A1LMNAATMHPGDHTT
SCHEMBL11440282 0.68 PTGS2 (0.48) ALDH1A1LMNAATMHPGDHTT
SCHEMBL21381810 0.67 LMNA (0.47) GAAPTGDR2TDP1LMNAHPGD

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 GAA 4760/4885PTGDR2 147/4885ALDH1A1 2168/4885

“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.