SCHEMBL80684

SCHEMBL80684

Cc1ccc(CCCO)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
SKP2 Q13309 1/20 0.46
CYP4A11 Q02928 2/20 0.44
CYP4F2 P78329 1/20 0.44
IGF1R P08069 2/20 0.41
ALOX15 P16050 2/20 0.41
CA2 P00918 1/20 0.41
CNR1 P21554 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
BCHE P06276 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL6301819 0.86 ALDH1A1 (0.52) ALDH1A1SKP2CYP4A11CYP4F2CA2
SCHEMBL31556195 0.84 SKP2 (0.50) ALDH1A1SKP2IGF1RALOX15CNR1
SCHEMBL27848429 0.83 IGF1R (0.52) ALDH1A1IGF1RALOX15CA2BCHE
SCHEMBL3192065 0.83 SKP2 (0.47) ALDH1A1SKP2CYP4A11CYP4F2IGF1R
SCHEMBL2913327 0.83 ESR1 (0.61) ALDH1A1SKP2IGF1RALOX15CA2
SCHEMBL23093076 0.82 SKP2 (0.70) ALDH1A1SKP2CYP4A11CYP4F2IGF1R
SCHEMBL586296 0.82 DAO (0.46) ALDH1A1SKP2CYP4A11CYP4F2IGF1R
SCHEMBL17471720 0.82 CYP4A11 (0.41) ALDH1A1SKP2CYP4A11CYP4F2IGF1R
SCHEMBL81865 0.82 SLC6A2 (0.46) SKP2CYP4A11CYP4F2IGF1RALOX15
SCHEMBL81132 0.82 IGF1R (0.44) ALDH1A1SKP2CYP4A11CYP4F2IGF1R

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2017-08-03 US disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
WO-2014151953-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-09-25 WO disclosed
US-8188082-B2 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-29 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
EP-2125823-B1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-0788357-A1 A METHOD OF TREATING URINARY BLADDER DYSFUNCTIONS NOVO NORDISK A/S (DK) 1997-08-13 EP disclosed
US-5565475-A Method of treating urinary bladder dysfunctions with 3-tetrahydropyridine derivatives MUHLHAUSER MARK A (US) 1996-10-15 US disclosed
EP-0734259-A1 ANTIPSYCHOTIC METHOD NOVO NORDISK A/S (DK) 1996-10-02 EP disclosed
EP-0732925-A1 A METHOD OF TREATING GASTROINTESTINAL MOTILITY DISORDERS NOVO NORDISK A/S (DK) 1996-09-25 EP disclosed
US-5545638-A USING A 3-(TETRAHYDROPYRID-3-YL-) SUBSTITUTED (OXA- OR THIA-)DIAZOLE COMPOUND NOVO NORDISK A/S (DK) 1996-08-13 US disclosed
WO-1996014066-A1 A METHOD OF TREATING URINARY BLADDER DYSFUNCTIONS NOVO NORDISK A/S (DK) 1996-05-17 WO disclosed
EP-0687265-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-12-20 EP disclosed
WO-1995017185-A1 A METHOD OF TREATING GASTROINTESTINAL MOTILITY DISORDERS NOVO NORDISK A/S (DK) 1995-06-29 WO disclosed
WO-1995005174-A1 ANTIPSYCHOTIC METHOD NOVO NORDISK A/S (DK) 1995-02-23 WO disclosed
WO-1994020495-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-09-15 WO 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 (2 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-20170217997-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 ALDH1A1 869/4885SKP2 7/4885CYP4A11 1368/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C ALDH1A1 646/4885SKP2 3298/4885CYP4A11 41/4885

“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.