SCHEMBL7115783

SCHEMBL7115783

CC(=O)c1c(O)c2c(c(C(C)=O)c1O)Sc1ccccc1CC2

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ HSD17B3 P37058 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ NOX1 Q9Y5S8 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL7115061 0.83 MTNR1A (0.33) MEN1KMT2AALDH1A1AKR1B1KDM4E
SCHEMBL7116812 0.82 MEN1 (0.34) MEN1KMT2AALDH1A1LMNATHRB
SCHEMBL7117485 0.81 ALDH1A1 (0.36) MEN1KMT2AALDH1A1LMNATHRB
SCHEMBL7117499 0.71 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL7111665 0.69 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAAKR1B1
SCHEMBL2762686 0.65 BCL2L1 (0.38) MEN1KMT2AALDH1A1LMNATHRB
SCHEMBL4488551 0.65 ALDH1A1 (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL10159109 0.65 NOTUM (0.36) MEN1KMT2AALDH1A1LMNAHSD17B3
SCHEMBL7112404 0.63 MAOA (0.35) MEN1KMT2AALDH1A1THRBKDM4E
SCHEMBL11865034 0.63 ALDH1A1 (0.41) MEN1KMT2AALDH1A1LMNAHSD17B3

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 MEN1 4726/4885KMT2A 918/4885ALDH1A1 2363/4885

“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.

Send feedback