SCHEMBL10028630

SCHEMBL10028630

C=C(C)[C@H]1CC[C@@H](C)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 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
SCHEMBL30255209 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL727954 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL13910300 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL17067705 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL17067706 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL17067707 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL7741357 0.83 TLR4 (0.35) TLR4
SCHEMBL11825966 0.81 TLR4 (0.37) TLR4
SCHEMBL29595955 0.77 TLR4 (0.34) TLR4ALDH1A1
SCHEMBL29595225 0.77 TLR4 (0.34) TLR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250137015-A1 YEAST PLATFORM FOR RENEWABLE INDUSTRIAL TERPENE PRODUCTION Wang, Zhen (US) 2025-05-01 US disclosed
US-12129493-B2 Host cells and methods useful for producing unnatural terpenoids using a novel artificial metalloenzyme THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-10-29 US disclosed
CN-113151205-B Alcohol dehydrogenase mutant and application thereof in synthesis of cyclic terpene ketone 苏州百福安酶技术有限公司 2024-07-16 CN disclosed
US-11566265-B2 Microbial engineering for the production of chemical and pharmaceutical products from the isoprenoid pathway MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-01-31 US disclosed
US-20180037530-A1 RUTHENIUM-PHENOL CATALYSTS FOR TRANSFER HYDROGENATION REACTIONS BASF SE (DE) 2018-02-08 US disclosed
US-20170066704-A1 RUTHENIUM-PHENOL CATALYSTS AND METHOD OF PREPARING MENTHONE FROM ISOPULEGOL BASF SE (DE) 2017-03-09 US disclosed
US-20170066704-A1 RUTHENIUM-PHENOL CATALYSTS AND METHOD OF PREPARING MENTHONE FROM ISOPULEGOL BASF SE (DE) 2017-03-09 US disclosed
US-20160289702-A1 Biosynthetic Mint THE UNIVERSITY OF MANCHESTER (GB) 2016-10-06 US disclosed
WO-2015132275-A1 RUTHENIUM-PHENOL CATALYSTS FOR TRANSFER HYDROGENATION REACTIONS BASF SE (DE) 2015-09-11 WO disclosed
US-20120165559-A1 Compounds Having a Physiological Effect V. MANE FILS (FR) 2012-06-28 US disclosed
US-20120165559-A1 Compounds Having a Physiological Effect V. MANE FILS (FR) 2012-06-28 US disclosed
WO-2010122239-A1 COMPOUNDS HAVING A PHYSIOLOGICAL EFFECT V. MANE FILS (FR) 2010-10-28 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 (4 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-20170066704-A1 RUTHENIUM-PHENOL CATALYSTS AND METHOD OF PREPARING MENTHONE FROM ISOPULEGOL HPD, MDH2, PIN4 TLR4 1462/4885MEN1 1735/4885ALDH1A1 1137/4885
US-20180037530-A1 RUTHENIUM-PHENOL CATALYSTS FOR TRANSFER HYDROGENATION REACTIONS HPD, ICMT, MDH2 TLR4 1434/4885MEN1 2730/4885ALDH1A1 1191/4885
US-20120165559-A1 Compounds Having a Physiological Effect NPPA, CYP11B2, SHBG TLR4 3526/4885MEN1 199/4885ALDH1A1 507/4885
US-12129493-B2 Host cells and methods useful for producing unnatural terpenoids using a novel artificial metalloenzyme CYP4F2, CYP51A1, POR TLR4 2241/4885MEN1 2762/4885ALDH1A1 1370/4885

“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.