SCHEMBL7117542

SCHEMBL7117542

CCC(=O)c1c(O)cc2c(c1O)CCc1ccccc1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTSL P07711 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ PLA2G2A P14555 1/20 0.31

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
SCHEMBL7112404 0.86 MAOA (0.35) CTSBMEN1CYP3A4KMT2AMAOA
SCHEMBL7110974 0.77 DRD2 (0.35) CYP3A4DRD3MAOAMAOBDRD2
SCHEMBL7111665 0.76 MEN1 (0.40) CTSBMEN1CYP3A4PTGS1DRD3
SCHEMBL7110948 0.70 MEN1 (0.34) MEN1CYP3A4KMT2AMAOAMAOB
SCHEMBL5106538 0.69 MAOA (0.42) MEN1CYP3A4PTGS1KMT2AMAOA
SCHEMBL7111581 0.68 MAOA (0.48) DRD3MAOAMAOBDRD2SMN1; SMN2
SCHEMBL7117499 0.68 MEN1 (0.39) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL5112413 0.68 ATM (0.45) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL7115061 0.66 MTNR1A (0.33) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL971330 0.65 MAOA (0.70) MAOAMAOBSMN1; SMN2NPSR1

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 CTSB 4656/4885MEN1 4726/4885CYP3A4 2158/4885

“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