SCHEMBL2612031

SCHEMBL2612031

CCC(C)(CC(C)=O)CC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
TRPA1 O75762 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CES2 O00748 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
SCHEMBL17933420 0.94 ALDH1A1 (0.42) ALDH1A1TDP1TRPA1HMGCRCHRM1
SCHEMBL16587771 0.90 HMGCR (0.44) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL4783944 0.90 HMGCR (0.44) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL4953125 0.85 LMNA (0.42) ALDH1A1TDP1ADRA1ATSHRCES2
SCHEMBL4743859 0.84 MGAM (0.44) ALDH1A1TDP1TSHR
SCHEMBL12141327 0.83 ALDH1A1 (0.33) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL21095787 0.81 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL14886607 0.79 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL20608207 0.78 HSD11B1 (0.37) ALDH1A1
SCHEMBL20608208 0.78 HSD11B1 (0.37) ALDH1A1

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
US-20150093692-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM USED THEREFOR, AND ELECTRONIC DEVICE MANUFACTURING METHOD AND ELECTRONIC DEVICE USING THE SAMEDEVICE MANUFACTURING METHOD AND ELECTRONIC DEVICE USING THE SAME FUJIFILM CORPORATION (JP) 2015-04-02 US disclosed
EP-2518079-A2 HCV/HIV inhibitors and their uses Novartis AG (CH) 2012-10-31 EP disclosed
US-20120101098-A1 3,28-DISUBSTITUTED BETULINIC ACID DERIVATIVES AS ANTI-HIV AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-04-26 US disclosed
WO-2007133865-A2 HCV/HIV INHIBITORS AN THEIR USES NOVARTIS AG (CH) 2007-11-22 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 (1 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-20120101098-A1 3,28-DISUBSTITUTED BETULINIC ACID DERIVATIVES AS ANTI-HIV AGENTS BET1, CD4, PGGT1B ALDH1A1 2309/4885TDP1 1989/4885TRPA1 4803/4885

“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.