SCHEMBL2128646

SCHEMBL2128646

CCc1c(C(=O)O)ccc2cc(O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
GPR35 Q9HC97 2/20 0.43
POLB P06746 1/20 0.43
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
HSP90AB1 P08238 1/20 0.41
SOS1 Q07889 1/20 0.40
MAOA P21397 1/20 0.40
LCK P06239 1/20 0.39
CDC25B P30305 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CYP2C9 P11712 1/20 0.38
GABRP O00591 1/20 0.38

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
SCHEMBL8160356 0.83 SLC22A12 (0.48) ALDH1A1POLBHSD17B10
SCHEMBL4945605 0.83 PPARA (0.51) TSHRALOX5
SCHEMBL5843935 0.80 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL16586303 0.80 GPR35 (0.50) GPR35POLBALOX5SOS1PTPN1
SCHEMBL2044544 0.80 HSD17B3 (0.44) TSHRPOLBALOX5
SCHEMBL15789381 0.79 ESR1 (0.45) ALDH1A1HSD17B10CYP2C9
SCHEMBL4170309 0.78 WDR5 (0.59) ALDH1A1GPR35POLBCDC25BHSD17B10
SCHEMBL4137339 0.78 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL3391531 0.78 LDHA (0.61) CA12CA1CA2CA7CA9
SCHEMBL3933696 0.77 GPR35 (0.46) ALDH1A1GPR35POLBSOS1CDC25B

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-20120101087-A1 Generation of Combinatorial Synthetic Libraries and Screening for Novel Proadhesins and Nonadhesins CERNOFINA, LLC 2012-04-26 US disclosed
WO-2009110942-A2 GENERATION OF COMBINATORIAL SYNTHETIC LIBRARIES AND SCREENING FOR NOVEL PROADHESINS AND NONADHESINS CERNOFINA, LLC (US) 2009-09-11 WO disclosed
WO-2009076618-A2 GENERATION OF COMBINATORIAL SYNTHETIC LIBRARIES AND SCREENING FOR NOVEL PROADHESINS AND NONADHESINS CERNOFINA, LLC (US) 2009-06-18 WO disclosed
US-20090124690-A1 Generation of Combinatorial Synthetic Libraries and Screening for Novel Proadhesins and Nonadhesins CERNOFINA, LLC 2009-05-14 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-20090124690-A1 Generation of Combinatorial Synthetic Libraries and Screening for Novel Proadhesins and Nonadhesins SELP, SELE, SELPLG CA12 1042/4885CA1 3453/4885CA2 3346/4885
US-20120101087-A1 Generation of Combinatorial Synthetic Libraries and Screening for Novel Proadhesins and Nonadhesins EPCAM, SELP, MASP2 CA12 1007/4885CA1 3498/4885CA2 3206/4885

“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.