SCHEMBL7115356

SCHEMBL7115356

COc1cc(Br)c(SCC(=O)c2ccccc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ MAPT P10636 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ RAB9A P51151 6/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 3/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ POLB P06746 2/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HSD11B1 P28845 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7115361 0.80 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL2499200 0.79 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL7769541 0.79 SMN1; SMN2 (0.60) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10726082 0.76 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL7116077 0.75 CYP1A2 (0.52) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6281258 0.74 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5685561 0.74 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8597038 0.74 TSHR (0.56) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6280285 0.73 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL28500412 0.72 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1

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-20030065021-A1 Tracheal smooth muscle relaxants YAMASHITA SHINYA (JP) 2003-04-03 — — US disclosed
US-6495592-B1 DIBENZ(B,F)OXEPIN DERIVATIVES; ANTIASTHMATICS NIPPON SUISAN KAISHA, LTD. (JP) 2002-12-17 — — US disclosed
US-6180659-B1 USING A DIBENZO(B,F)-(OXEPIN OR THIEPIN) COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-01-30 — — US disclosed
EP-0885610-A1 TRACHEAL SMOOTH MUSCLE RELAXANT NIPPON SUISAN KAISHA, LTD. (JP) 1998-12-23 — — EP 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-20030065021-A1 Tracheal smooth muscle relaxants MYLK, MUSK, CPT1B ALDH1A1 2363/4885MAPT 4818/4885SMN1; SMN2 1415/4885

“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.

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