SCHEMBL3707221

SCHEMBL3707221

O=C1CCC=C(Cc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.39
DAO P14920 1/20 0.36
SORT1 Q99523 1/20 0.35
PKM P14618 2/20 0.35
KMT2A Q03164 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
IDH1 O75874 4/20 0.33
PARP11 Q9NR21 1/20 0.33
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL11549616 0.98 CALM1 (0.38) CALM1DAOSORT1PKMKMT2A
SCHEMBL6209486 0.89 ALDH1A1 (0.41) CALM1DAOKMT2APOLBL3MBTL1
SCHEMBL8414683 0.85 CALM1 (0.39) CALM1DAOSORT1KMT2AMAOA
SCHEMBL110859 0.82 CALM1 (0.52) CALM1DAOALDH1A1IDH1
SCHEMBL27931008 0.80 CALM1 (0.50) CALM1DAOALDH1A1IDH1
SCHEMBL28831761 0.80 CALM1 (0.50) CALM1DAOALDH1A1IDH1
Hydrochloric Acid SCHEMBL28817569 0.80 CALM1 (0.50) CALM1ALDH1A1
SCHEMBL2333440 0.76 CALM1 (0.46) CALM1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL1399903 0.75 ALDH1A1 (0.50) CALM1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL2585502 0.73 CALM1 (0.42) CALM1KMT2AMAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291327-A2 Aryl-substituted naphthalene, benzoxepine, benzazepine and benzocycloheptene derivatives SCHERING CORPORATION (US) 1988-11-17 EP claimed
EP-2807172-A1 PYRIMIDOOXAZOCINE DERIVATIVES AS MTOR - INHIBITORS SANOFI (FR) 2014-12-03 EP disclosed
WO-2013111106-A1 PYRIMIDOOXAZOCINE DERIVATIVES AS MTOR - INHIBITORS SANOFI (FR) 2013-08-01 WO disclosed
EP-2200962-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY Bayer Schering Pharma Aktiengesellschaft (DE) 2010-06-30 EP disclosed
US-20090099250-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
WO-2009047343-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-04-16 WO disclosed
EP-2048126-A1 Benzocycloheptane derivatives as selectively active oestrogens Bayer Schering Pharma AG (DE) 2009-04-15 EP disclosed
EP-1278729-A1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GlaxoSmithKline S.p.A. (IT) 2003-01-29 EP disclosed
WO-2001083454-A1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GLAXOSMITHKLINE S.P.A. (IT) 2001-11-08 WO disclosed
EP-0291327-A2 Aryl-substituted naphthalene, benzoxepine, benzazepine and benzocycloheptene derivatives SCHERING CORPORATION (US) 1988-11-17 EP disclosed
US-4154852-A ANTIDEPRESSANTS ROUSSEL UCLAF (FR) 1979-05-15 US disclosed
US-4148919-A 7-Amino-6,7-dihydro [5H]benzocycloheptene derivatives ROUSSEL UCLAF (FR) 1979-04-10 US disclosed
US-4117164-A ANTIDEPRESSANTS ROUSSEL UCLAF (FR) 1978-09-26 US disclosed
US-4091115-A ANTIDEPRESSANTS ROUSSEL UCLAF (FR) 1978-05-23 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-20090099250-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY CYP19A1, HSD17B11, CYP21A2 CALM1 4694/4885DAO 2316/4885SORT1 4406/4885

“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.