SCHEMBL16859990

SCHEMBL16859990

CCC(C)(C(=O)O)c1ccc(CC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.49
PTGS2 P35354 4/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
AKR1C3 P42330 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX5 P09917 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
CXCL8 P10145 1/20 0.49
TSHR P16473 1/20 0.49
AKR1C2 P52895 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL30242220 1.00 PTGS1 (0.49) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL15655076 0.85 FAAH (0.47) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL31103468 0.83 PTGS2 (0.42) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL17836946 0.83 PTGS1 (0.45) PTGS1PTGS2LMNACYP2C9AKR1C3
Dimethylamine SCHEMBL3820590 0.81 EPHX1 (0.46) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9345529 0.81 PTGS1 (0.44) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL2139313 0.81 PTGS1 (0.53) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL10746830 0.80 PTGS1 (0.49) PTGS1PTGS2LMNACYP2C9AKR1C3
Hydrochloric Acid SCHEMBL19138001 0.80 PTGS1 (0.40) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL7323204 0.79 PTGS1 (0.51) PTGS1PTGS2LMNACYP2C9AKR1C3

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-103483275-B The coupling compound of NSAID class anti-inflammatory analgesic medicine and EGFR kinase inhibitor and synthetic method thereof and application GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2015-09-02 CN claimed
CN-103483275-A Coupling compound of NSAID anti-inflammatory pain killers and EGFR kinase inhibitor and synthetic method and application of coupling compound GUANGZHOU INST BIOMED & HEALTH 2014-01-01 CN claimed
CN-103483275-B The coupling compound of NSAID class anti-inflammatory analgesic medicine and EGFR kinase inhibitor and synthetic method thereof and application GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2015-09-02 CN disclosed
US-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-07-02 US disclosed
CN-103483275-A Coupling compound of NSAID anti-inflammatory pain killers and EGFR kinase inhibitor and synthetic method and application of coupling compound GUANGZHOU INST BIOMED & HEALTH 2014-01-01 CN 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-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION CNR2, FAAH2, FAAH PTGS1 24/4885PTGS2 8/4885LMNA 3153/4885

“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.