SCHEMBL14543745

SCHEMBL14543745

CCc1c(C=O)[nH]c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.44
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
IGF1R P08069 1/20 0.36
HSD17B10 Q99714 2/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL29954782 0.84 ALDH1A1 (0.37) PDGFRBCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5769612 0.83 ALDH1A1 (0.36) PDGFRBCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5358334 0.83 ALDH1A1 (0.39) PDGFRBCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29954578 0.79 ALDH1A1 (0.34) PDGFRBALDH1A1POLBKMT2AIGF1R
SCHEMBL9735543 0.79 IGF1R (0.37) ALDH1A1POLBKMT2AIGF1R
SCHEMBL12849434 0.77 HSD17B10 (0.36) PDGFRBALDH1A1POLBKMT2AIGF1R
SCHEMBL10810611 0.76 ALDH1A1 (0.34) CYP1A2CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL15380984 0.74 ALDH1A1 (0.36) CYP1A2CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL14560302 0.74 FGFR1 (0.42) PDGFRBHSD17B10
SCHEMBL25295408 0.72 SMN1; SMN2 (0.58) CYP1A2CYP2C9CYP2C19ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220031870-A1 METAL COMPLEXES AND FLUORINATION THEREOF UNIVERSITY OF SOUTHAMPTON (GB) 2022-02-03 US disclosed
EP-2991969-B1 METAL COMPLEXES AND FLUORINATION THEREOF GE HEALTHCARE LTD (GB) 2020-04-01 EP disclosed
CN-105324367-B Metal complexes and fluorination thereof 通用电气健康护理有限公司 2018-11-02 CN disclosed
US-20160082136-A1 METAL COMPLEXES AND FLUORINATION THEREOF UNIVERSITY OF SOUTHAMPTON (GB) 2016-03-24 US disclosed
US-20160074540-A1 METAL COMPLEXES AND THEIR FLUORINATION UNIVERSITY OF SOUTHAMPTON (GB) 2016-03-17 US disclosed
EP-2991688-A1 METAL COMPLEXES AND THEIR FLUORINATION GE Healthcare UK Limited (GB) 2016-03-09 EP disclosed
EP-2991969-A1 METAL COMPLEXES AND FLUORINATION THEREOF GE Healthcare UK Limited (GB) 2016-03-09 EP disclosed
CN-105339013-A Metal complexes and fluorination thereof GE HEALTHCARE LTD 2016-02-17 CN disclosed
CN-105324367-A Metal complexes and fluorination thereof GE HEALTHCARE LTD 2016-02-10 CN disclosed
WO-2014177690-A1 METAL COMPLEXES AND THEIR FLUORINATION GE HEALTHCARE LIMITED (GB) 2014-11-06 WO disclosed
WO-2014177689-A1 METAL COMPLEXES AND FLUORINATION THEREOF GE HEALTHCARE LIMITED (GB) 2014-11-06 WO disclosed
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 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-20160074540-A1 METAL COMPLEXES AND THEIR FLUORINATION FOS, FOSB, AFF1 PDGFRB 759/4885CYP1A2 2374/4885CYP2C9 1563/4885
US-20220031870-A1 METAL COMPLEXES AND FLUORINATION THEREOF FOS, FGB, FOSB PDGFRB 919/4885CYP1A2 2639/4885CYP2C9 1570/4885
US-20160082136-A1 METAL COMPLEXES AND FLUORINATION THEREOF FOS, FGB, FOSB PDGFRB 843/4885CYP1A2 2467/4885CYP2C9 1445/4885

“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.