SCHEMBL2525156

SCHEMBL2525156

CCCCCC1=CCC(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.43
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 3/20 0.43
S1PR4 O95977 2/20 0.43
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
CYP1B1 Q16678 1/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
SCD O00767 1/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL10623462 0.89 ALDH1A1 (0.44) S1PR5S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL9414353 0.86 ALDH1A1 (0.40) S1PR5S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL7729615 0.82 ALOX15 (0.52) ALDH1A1ALOX15CYP1B1MEN1MAPT
SCHEMBL10626320 0.82 ALDH1A1 (0.46) S1PR5S1PR1ALDH1A1ALOX15CYP1B1
SCHEMBL2222691 0.82 ALDH1A1 (0.46) S1PR5S1PR1ALDH1A1ALOX15CYP1B1
SCHEMBL19994757 0.81 CES2 (0.39) ALDH1A1ALOX15CYP1B1MEN1MAPT
SCHEMBL7736912 0.79 RARB (0.55) S1PR5S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL849987 0.78 ALOX15 (0.53) ALDH1A1ALOX15CYP1B1MEN1MAPT
SCHEMBL12186689 0.76 ALDH1A1 (0.61) ALDH1A1ALOX15CYP1B1MEN1MAPT
SCHEMBL25329254 0.76 ALDH1A1 (0.64) ALDH1A1ALOX15CYP1B1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55136224-A None JP disclosed
EP-2558467-B1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2552919-B1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8461151-B2 Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
US-8420633-B2 Aryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2558467-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E]AZULENES AS VASOPRESSIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
EP-2552919-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. Hoffmann-La Roche AG (CH) 2013-02-06 EP disclosed
WO-2011128265-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E] AZULENES AS VASOPRESSIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 US disclosed
WO-2011120877-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-06 WO disclosed
US-20110245237-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-06 US disclosed
US-6413448-B1 ESTERS; DOPANTS; LONGER CHIRAL SMECTIC PHASE PITCH; HIGHER TILT ANGLE; LOWER VISCOSITY; CRYSTALLIZATION SUPPRESSION; IMPROVED SOLUBILITY; BROADER C* PHASE TEMPERATURE RANGE DISPLAYTECH, INC. 2002-07-02 US disclosed
WO-2000065801-A9 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH INC (US) 2001-04-12 WO disclosed
WO-2000065801-A1 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH, INC. (US) 2000-11-02 WO disclosed
EP-0582489-A1 Ferroelectric liquid crystal compounds with cyclohexenyl cores and compositions containing them DISPLAYTECH, INCORPORATED (US) 1994-02-09 EP disclosed
US-5271864-A Ferroelectric liquid crystal compounds with cyclohexenyl cores and compositions containing them DISPLAYTECH, INC. (US) 1993-12-21 US disclosed
JP-S55136224-A NOVEL ANTIALLERGIC AGENT HISAMITSU PHARMACEUT CO INC 1980-10-23 JP 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-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES OXTR, AVPR1B, AVPR1A S1PR5 1627/4885S1PR1 2129/4885S1PR3 2454/4885
US-20110245237-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR S1PR5 1779/4885S1PR1 2694/4885S1PR3 2863/4885

“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.