Cyclohexane

Cyclohexane

SCHEMBL268585

C1CCCCC1.O=Cc1cccc(F)c1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.58
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52
NPC1 O15118 1/20 0.52
CHRM5 P08912 1/20 0.52
GRM5 P41594 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
IKBKB O14920 1/20 0.49
FGFR1 P11362 1/20 0.49
ALDH1A1 P00352 1/20 0.48
FBP1 P09467 1/20 0.47
PTGS1 P23219 1/20 0.46

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
SCHEMBL1574019 0.93 NFE2L2 (0.65) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL24197 0.93
SCHEMBL18472616 0.93
SCHEMBL29359478 0.93
Ammonia Solution, Strong SCHEMBL27509053 0.91 NFE2L2 (0.62) NFE2L2CYP1A2CYP3A4CYP2D6PKM
Hydrochloric Acid SCHEMBL29084496 0.91 NFE2L2 (0.62) NFE2L2CYP1A2CYP3A4CYP2D6PKM
Hydrochloric Acid SCHEMBL29768617 0.91 NFE2L2 (0.62) NFE2L2CYP1A2CYP3A4CYP2D6PKM
Cyclohexylamine SCHEMBL7800228 0.86 TP53 (0.45) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL17686281 0.85 NFE2L2 (0.64) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL3819301 0.81 TRIM24 (0.53) NFE2L2CYP1A2CYP3A4CYP2D6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-28 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-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 NFE2L2 1195/4885CYP1A2 1686/4885CYP3A4 1856/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NFE2L2 1866/4885CYP1A2 1669/4885CYP3A4 1849/4885

“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.