SCHEMBL1200910

SCHEMBL1200910

CCC(=O)Oc1ccccc1C(O)C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.38
ESR1 P03372 2/20 0.37
HIF1A Q16665 2/20 0.37
KMT2A Q03164 5/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
RECQL P46063 2/20 0.37
ACHE P22303 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1200535 0.88 KMT2A (0.44) TSHRALOX15KMT2AKDM4EMEN1
SCHEMBL1199595 0.85 PTGS2 (0.47) TSHRESR1KMT2AKDM4EMEN1
Benzene SCHEMBL1200605 0.84 PTGS2 (0.50) ELANETSHRALOX15ESR1KDM4E
SCHEMBL1200603 0.82 MAPK1 (0.47) TSHRKMT2AL3MBTL1SMN1; SMN2ALDH1A1
Naphthalene SCHEMBL1200947 0.81 PTGS2 (0.44) TSHRESR1KMT2AKDM4ERECQL
SCHEMBL1200542 0.80 CTDSP1 (0.46) TSHRALOX15KMT2AKDM4EMEN1
SCHEMBL7433035 0.80 ELANE (0.47) ELANEALOX15ESR1HIF1AKMT2A
SCHEMBL1201388 0.80 ELANE (0.51) ELANEHIF1AMAPTALDH1A1NPSR1
SCHEMBL29183254 0.79 ELANE (0.46) ELANEALOX15ESR1HIF1AKMT2A
SCHEMBL43475 0.78 ELANE (0.49) ELANETSHRALOX15ESR1HIF1A

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-102007095-B Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL CO.,LTD. (JP) 2014-10-08 CN disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
CN-102007095-A Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL CO 2011-04-06 CN disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2264005-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-22 EP 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-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 ELANE 4064/4885TSHR 4501/4885ALOX15 877/4885

“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.