SCHEMBL4098441

SCHEMBL4098441

CC(C(=O)O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.52
CYP2D6 P10635 1/20 0.52
LMNA P02545 3/20 0.50
MAPK1 P28482 2/20 0.50
PTGS2 P35354 3/20 0.47
APAF1 O14727 1/20 0.46
PTGS1 P23219 3/20 0.44
MAPT P10636 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
PMP22 Q01453 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CXCL8 P10145 1/20 0.44

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
SCHEMBL11715171 0.86 CYP2D6 (0.46) SRCCYP2D6LMNAMAPK1PTGS2
SCHEMBL10442632 0.84 BCL2 (0.40) SRCCYP2D6LMNAMAPK1PTGS2
SCHEMBL30929994 0.82 ESR1 (0.50) SRCCYP2D6LMNAPTGS2PTGS1
SCHEMBL20260341 0.82 ALOX5 (0.55) SRCCYP2D6LMNAMAPK1KDM4E
SCHEMBL362440 0.82 ALOX5 (0.55) SRCCYP2D6LMNAMAPK1KDM4E
SCHEMBL23052844 0.82 ALOX5 (0.55) SRCCYP2D6LMNAMAPK1KDM4E
SCHEMBL1482046 0.81 ALDH1A1 (0.47) SRCCYP2D6LMNAMAPK1MAPT
SCHEMBL585192 0.81 CYP2D6 (0.52) SRCCYP2D6LMNAMAPK1PTGS2
SCHEMBL7787872 0.81 CYP2D6 (0.52) SRCCYP2D6LMNAMAPK1PTGS2
SCHEMBL28441543 0.80 LMNA (0.57) CYP2D6LMNAMAPK1PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111777477-B Method for synthesizing succinic acid derivative or 3-aryl propionic acid 四川大学 2021-09-14 CN disclosed
CN-111777477-A Method for synthesizing succinic acid derivative or 3-aryl propionic acid 四川大学 2020-10-16 CN disclosed
US-10351506-B2 Purified plasticizers, production and use EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-07-16 US disclosed
US-20190031593-A1 Purified Plasticizers, Production and Use EXXONMOBIL CHEMICAL PATENTS INC. 2019-01-31 US disclosed
CN-103086877-B A kind of method for splitting of 2 hydracrylic acid class racemoid 浙江华海药业股份有限公司 2017-08-25 CN disclosed
US-8367743-B2 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces BASF SE (DE) 2013-02-05 US disclosed
US-20090104464-A1 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces IGM GROUP B.V. (NL) 2009-04-23 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 (3 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-10351506-B2 Purified plasticizers, production and use ALKBH3, FTO, ALK SRC 408/4885CYP2D6 1004/4885LMNA 3811/4885
US-20190031593-A1 Purified Plasticizers, Production and Use ALKBH3, FTO, ALK SRC 408/4885CYP2D6 1004/4885LMNA 3811/4885
US-20090104464-A1 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces CDH1, PCNA, VCAM1 SRC 2292/4885CYP2D6 4220/4885LMNA 843/4885

“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.