SCHEMBL3288968

SCHEMBL3288968

C=CCc1[c]c(OC)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CYP3A4 P08684 4/20 0.34
ALOX15 P16050 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 3/20 0.33
ALOX5 P09917 1/20 0.33
AR P10275 1/20 0.33
PTGS1 P23219 1/20 0.33
TRPM8 Q7Z2W7 1/20 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
SCHEMBL509822 0.78 PTGS2 (0.32)
SCHEMBL27764056 0.77 SCN4A (0.32)
SCHEMBL1569465 0.74 TSHR (0.37) ALDH1A1TSHRMAPTL3MBTL1TDP1
SCHEMBL26692445 0.72 ALDH1A1 (0.48) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL14631768 0.71 ALDH1A1 (0.40) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL1569458 0.69 TSHR (0.32) TSHR
SCHEMBL17010324 0.67 ERN1 (0.41) ALDH1A1TSHRALOX12MAPTL3MBTL1
SCHEMBL7042258 0.67 CYP3A4 (0.44) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL2342604 0.66 AHR (0.33)
SCHEMBL19208034 0.66 ERN1 (0.35) ALDH1A1CYP3A4TSHRMAPTTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728155-B2 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH LLC (US) 2010-06-01 US disclosed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 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-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents HTR2C, HTR1A, HTR1B ALDH1A1 185/4885PPARG 1705/4885PPARD 1793/4885

“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.