Cyclohexane

Cyclohexane

SCHEMBL6052077

C1CCCCC1.O=C(CO)Oc1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
ELANE P08246 1/20 0.44
KMT2A Q03164 5/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX15 P16050 2/20 0.42
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL593272 0.94 CYP19A1 (0.58) CYP19A1ALDH1A1ELANEKMT2AHPGD
SCHEMBL27396289 0.91 CYP19A1 (0.56) CYP19A1ALDH1A1ELANEKMT2AHPGD
SCHEMBL1931453 0.82 KMT2A (0.54) CYP19A1ALDH1A1RAB9AELANEKMT2A
SCHEMBL7564565 0.82 ASAH1 (0.55) CYP19A1ALDH1A1ELANEKMT2AMEN1
SCHEMBL3404040 0.79 PPARG (0.54) CYP19A1ELANEKMT2AHPGDL3MBTL1
Cyclohexane SCHEMBL23214149 0.78 ALDH1A1 (0.53) ALDH1A1RAB9AELANEKMT2AHPGD
Cyclohexane SCHEMBL6263406 0.78 ALDH1A1 (0.53) ALDH1A1RAB9AELANEKMT2AHPGD
SCHEMBL153387 0.78 CYP19A1 (0.55) CYP19A1ALDH1A1RAB9AELANEKMT2A
SCHEMBL43742 0.78 KMT2A (0.61) CYP19A1ALDH1A1ELANEKMT2AHPGD
SCHEMBL538524 0.77 CYP19A1 (0.76) CYP19A1ALDH1A1KMT2AHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620083-A2 COMBINATION THERAPIES Pharmacia & Upjohn Company LLC (US) 2006-02-01 EP disclosed
US-6946486-B2 Quaternary ammonium compounds PHARMACIA & UPJOHN CO. (US) 2005-09-20 US disclosed
EP-1558563-A1 QUATERNARY AMMONIUM COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2005-08-03 EP disclosed
US-20040220224-A1 Method of treating irritable bowel syndrome PFIZER INC 2004-11-04 US disclosed
WO-2004091596-A2 COMBINATION THERAPIES FOR CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-28 WO disclosed
WO-2004091597-A2 METHOD OF TREATING IRRITABLE BOWEL SYNDROME (IBS) PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209916-A1 Combination therapies PFIZER INC 2004-10-21 US disclosed
US-20040116519-A1 Quaternary ammonium compounds PHARMACIA & UPJOHN COMPANY 2004-06-17 US disclosed
WO-2004039763-A1 QUATERNARY AMMONIUM COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 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-20040209916-A1 Combination therapies ADRA2C, ADRB2, ADRA2A CYP19A1 1295/4885ALDH1A1 1063/4885RAB9A 817/4885
US-20040220224-A1 Method of treating irritable bowel syndrome SI, VIP, SLC10A2 CYP19A1 3089/4885ALDH1A1 2507/4885RAB9A 1733/4885

“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.