SCHEMBL7041840

SCHEMBL7041840

CC(C)(C)c1ccc(C(=O)O)cc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
TTR P02766 2/20 0.46
ESRRA P11474 1/20 0.44
IGFBP3 P17936 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL7045055 0.85 MRGPRX4 (0.51) SRD5A2MRGPRX4TTRESRRARARA
SCHEMBL26936522 0.82 TTR (0.69) SRD5A2MAPTKDM4EMRGPRX4TTR
SCHEMBL9847750 0.79 ESRRA (0.53) SRD5A2TTRESRRARARARARB
SCHEMBL21656739 0.79 IGFBP3 (0.59) SRD5A2MAPTKDM4EMRGPRX4TTR
SCHEMBL7041843 0.78 RXRA (0.51) MRGPRX4CYP2C9RXRARXRBRXRG
SCHEMBL1452722 0.77 SRD5A2 (0.69) SRD5A2MRGPRX4EPHX2MEN1KMT2A
SCHEMBL7040373 0.77 SLC6A4 (0.57) MAPTKDM4ECYP2C9RAB9AICAM1
SCHEMBL13091407 0.77 NR1H4 (0.48) KDM4EMRGPRX4CYP2C9RAB9ARARA
SCHEMBL19951345 0.76 FFAR1 (0.57) SRD5A2MAPTKDM4EMRGPRX4RAB9A
SCHEMBL8333454 0.76 MAPT (0.41) MAPTKDM4EMRGPRX4POLBRAB9A

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 SRD5A2 107/4885MAPT 4682/4885KDM4E 1124/4885

“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.