SCHEMBL7044482

SCHEMBL7044482

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A4 P31645 6/20 0.39
ICAM1 P05362 2/20 0.37
SELE P16581 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HTR2A P28223 3/20 0.36
KCNH2 Q12809 3/20 0.36
KDM4E B2RXH2 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
P2RY1 P47900 1/20 0.34
AR P10275 4/20 0.33

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) L3MBTL1MAPTSLC6A4HTR2AKCNH2
SCHEMBL7042737 0.82 SLC6A4 (0.40) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL7041987 0.81 CYP2A6 (0.34) L3MBTL1MAPTLMNARAB9AICAM1
SCHEMBL7044485 0.79 IDO1 (0.38) P2RY1AR
SCHEMBL7040373 0.78 SLC6A4 (0.57) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL7043413 0.77 NR1H4 (0.44) L3MBTL1MAPTATM
SCHEMBL7044749 0.76 ALDH1A1 (0.45) L3MBTL1MAPTLMNARAB9A
SCHEMBL8333454 0.75 MAPT (0.41) L3MBTL1MAPTLMNARAB9AICAM1
SCHEMBL7041840 0.74 SRD5A2 (0.46) MAPTRAB9AICAM1SELEKDM4E
SCHEMBL8333222 0.74 HAO1 (0.39) MAPTICAM1SELEKDM4EP2RY1

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 L3MBTL1 2037/4885MAPT 4682/4885LMNA 2128/4885

“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.