SCHEMBL4265489

SCHEMBL4265489

CC(CCC(=O)O)C(=O)OC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 4/20 0.40
TSHR P16473 3/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
CACNA1G O43497 1/20 0.36
CPA3 P15088 1/20 0.36

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
SCHEMBL2740693 0.82 POLB (0.45) CYP2D6POLBCYP3A4KDM4EHPGD
SCHEMBL27563105 0.79 POLB (0.42) CYP2D6POLBCYP3A4CYP1A2TSHR
SCHEMBL685354 0.78 POLB (0.50) CYP2D6POLBCYP3A4CYP1A2TSHR
SCHEMBL6910125 0.75 POLB (0.43) POLBALDH1A1APEX1CYP1A2TSHR
SCHEMBL6860202 0.73 CYP1A2 (0.43) POLBALDH1A1MAPK1CYP1A2TSHR
SCHEMBL21778856 0.72 POLB (0.46) POLBCYP1A2TSHRKMT2ACYP2C19
SCHEMBL28656072 0.71 BCHE (0.42) POLBCYP3A4ALDH1A1TP53MAPK1
Hydrochloric Acid SCHEMBL6879953 0.71 KMT2A (0.38) POLBCYP3A4ALDH1A1KDM4ETP53
SCHEMBL8934914 0.71 IDO1 (0.41) CYP2D6POLBKMT2A
SCHEMBL27555134 0.71 POLB (0.48) CYP2D6POLBCYP3A4CYP1A2TSHR

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
US-20150167055-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD APTA BIOSCIENCES LTD. (GB) 2015-06-18 US disclosed
US-8940879-B2 Functional molecule, functional molecule synthesizing amidite and target substance analysis method APTA BIOSCIENCES LTD. (GB) 2015-01-27 US disclosed
US-20130017973-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD FUJITSU LIMITED (JP) 2013-01-17 US disclosed
US-8288516-B2 Functional molecule, functional molecule synthesizing amidite and target substance analysis method FUJITSU LIMITED (JP) 2012-10-16 US disclosed
US-20090053710-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD FUJITSU LIMITED (JP) 2009-02-26 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-20130017973-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD TACR1, TACR2, ATIC CYP2D6 2020/4885POLB 1332/4885CYP3A4 3143/4885
US-20090053710-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD TACR1, TACR2, ATIC CYP2D6 2020/4885POLB 1332/4885CYP3A4 3143/4885

“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.