SCHEMBL7048320

SCHEMBL7048320

CCc1ccccc1Oc1cc(Br)ccc1OCOC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTGER1 P34995 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
CYP2C9 P11712 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
SCHEMBL7044793 0.83 AR (0.40) L3MBTL1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL5569933 0.79 PTGDR2 (0.45) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27655777 0.78 L3MBTL1 (0.58) L3MBTL1KDM4EMAPTNPSR1SLC6A2
SCHEMBL28009643 0.78 TSHR (0.41) L3MBTL1KDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7048319 0.76 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3SMN1; SMN2CYP3A4
SCHEMBL5252344 0.75 KDM4E (0.45) L3MBTL1KDM4EMAPTSLC6A4ALDH1A1
SCHEMBL7041287 0.74 AR (0.43) L3MBTL1KDM4EMAPTNPSR1SLC6A2
SCHEMBL1849118 0.73 MAPK1 (0.52) L3MBTL1KDM4EMAPTSLC6A2SLC6A4
SCHEMBL475213 0.73 L3MBTL1 (0.57) L3MBTL1KDM4EMAPTNPSR1SLC6A2
SCHEMBL7044791 0.72 AR (0.39) L3MBTL1MAPTSLC6A2SLC6A4SLC6A3

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 4 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

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 2037/4885KDM4E 1124/4885MAPT 4682/4885

“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.