SCHEMBL7111665

SCHEMBL7111665

CCC(=O)c1c(O)cc2c(c1O)CCc1ccccc1S2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MYLK Q15746 3/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ FFAR1 O14842 2/20 0.32
▸ PLA2G2A P14555 1/20 0.32
▸ PLA2G5 P39877 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32

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
SCHEMBL7117485 0.85 ALDH1A1 (0.36) MEN1KMT2ACYP3A4ALDH1A1LMNA
SCHEMBL7117499 0.84 MEN1 (0.39) MEN1KMT2ADRD3CYP3A4PTGS1
SCHEMBL7115061 0.82 MTNR1A (0.33) MEN1KMT2ADRD3CYP3A4PTGS1
SCHEMBL7117542 0.76 CTSB (0.40) MEN1KMT2ADRD3CYP3A4PTGS1
SCHEMBL7116812 0.71 MEN1 (0.34) MEN1KMT2ACYP3A4ALDH1A1LMNA
SCHEMBL7110317 0.70 ALDH1A1 (0.41) MEN1KMT2AALDH1A1LMNADRD2
SCHEMBL7115783 0.69 MEN1 (0.33) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL7111900 0.69 ALDH1A1 (0.41) MEN1KMT2ACYP3A4ALDH1A1LMNA
SCHEMBL11247669 0.68 ALDH1A1 (0.36) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL11009216 0.67 SRD5A2 (0.40) MEN1KMT2AALDH1A1LMNAOPRK1

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 918/4885DRD3 1495/4885

“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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