SCHEMBL18340461

SCHEMBL18340461

CC1=CCCC(C(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.36
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
TLR4 O00206 2/20 0.33
USP2 O75604 1/20 0.30

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
SCHEMBL7763088 0.73
SCHEMBL3000246 0.71
SCHEMBL10476386 0.64 MEN1 (0.41) NFE2L2
SCHEMBL24966387 0.64 TLR4 (0.36) NFE2L2NPC1MAPTRAB9ATLR4
SCHEMBL16803982 0.64 TLR4 (0.34) TLR4
SCHEMBL14275775 0.63 CYP19A1 (0.40) MAPT
SCHEMBL11308573 0.62 RAB9A (0.47) NFE2L2NPC1MAPTRAB9ATLR4
SCHEMBL11308580 0.62 RAB9A (0.47) NFE2L2NPC1MAPTRAB9ATLR4
SCHEMBL873797 0.61 TLR4 (0.32) NFE2L2NPC1MAPTRAB9ATLR4
SCHEMBL9510304 0.61 NPC1 (0.43) NFE2L2NPC1MAPTRAB9ATLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107320531-B Traditional Chinese medicine active component for external treatment of cold internal disease and production method thereof 广西源安堂药业有限公司 2020-09-08 CN disclosed
CN-106061474-B Method for treating alopecia using monoterpenoids 赛尔米德有限公司 2020-03-03 CN disclosed
EP-3079679-B1 METHOD OF TREATMENT OF ALOPECIA WITH MONOTERPENOIDS CELLMID LTD (AU) 2019-08-14 EP disclosed
US-20180360792-A1 Method of Treatment of Alopecia with Monoterpenoids Cellmid Limited (AU) 2018-12-20 US disclosed
US-20160374979-A1 Method of Treatment of Alopecia with Monoterpenoids Cellmid Limited (AU) 2016-12-29 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-20160374979-A1 Method of Treatment of Alopecia with Monoterpenoids FGF1, FGF2, FGFR1 NFE2L2 628/4885NPC1 3237/4885MAPT 2003/4885
US-20180360792-A1 Method of Treatment of Alopecia with Monoterpenoids FGF1, FGF2, FGFR1 NFE2L2 645/4885NPC1 3390/4885MAPT 2041/4885

“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.