Cyclohexanol

Cyclohexanol

SCHEMBL9103387

O=C(O)Cc1cccc(Cl)c1.OC1CCCCC1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.62
CTBP2 P56545 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
GLA P06280 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
HSD11B1 P28845 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PIK3CA P42336 1/20 0.43
KCNQ2 O43526 1/20 0.43

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
SCHEMBL467923 0.84 CTBP2 (0.66) EPHX2CTBP2HPGDHTR3EHTR3B
Phenylacetic Acid SCHEMBL27661359 0.82 AKR1B1 (0.63) EPHX2GLATAAR1HPGDNPC1
Ammonia Solution, Strong SCHEMBL28761900 0.82 CTBP2 (0.64) EPHX2CTBP2HPGDHTR3EHTR3B
Hydrochloric Acid SCHEMBL2531827 0.82 CTBP2 (0.64) EPHX2CTBP2HPGDHTR3EHTR3B
Ammonia Solution, Strong SCHEMBL5702482 0.82 CTBP2 (0.64) EPHX2CTBP2HPGDHTR3EHTR3B
SCHEMBL9103392 0.78 EPHX2 (0.60) EPHX2CTBP2SIGMAR1GLATAAR1
SCHEMBL11774837 0.78 CTBP2 (0.58) EPHX2CTBP2HPGDHSD11B1HTR3E
SCHEMBL12931997 0.77 EPHX2 (1.00) EPHX2SIGMAR1MAPTALOX12THRB
Phenylacetic Acid SCHEMBL27805825 0.76 AKR1B1 (0.68) EPHX2GLAHPGD
Parachlorophenol SCHEMBL9108351 0.75 CTBP2 (0.55) EPHX2CTBP2THRBHPGDHTR3E

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
EP-2646026-B1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
US-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US disclosed
US-8618139-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-12-31 US disclosed
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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 (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-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 EPHX2 2514/4885CTBP2 3215/4885SIGMAR1 218/4885
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 EPHX2 2514/4885CTBP2 3215/4885SIGMAR1 218/4885

“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.