SCHEMBL3980824

SCHEMBL3980824

O=C(O)c1ccc(CBr)c(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA6 P23280 4/20 0.45
CA9 Q16790 4/20 0.45
CA4 P22748 3/20 0.45
CA7 P43166 3/20 0.45
CA14 Q9ULX7 3/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
PTGS2 P35354 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACE2 Q9BYF1 3/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
SRD5A2 P31213 1/20 0.41

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
SCHEMBL30028599 1.00 TSHR (0.46) TSHRTP53CA12CA1CA2
SCHEMBL27501979 0.90 ALDH1A1 (0.48) TSHRTP53CA12CA1CA2
SCHEMBL17625007 0.90 ACE2 (0.51) TSHRTP53CA12CA1CA2
SCHEMBL3225144 0.88 TSHR (0.42) TSHRTP53CA12CA1CA2
Toluene SCHEMBL30385005 0.88 ALDH1A1 (0.47) TSHRKDM4EPOLBGAAMAPT
SCHEMBL28180523 0.85 KDM4E (0.48) TSHRTP53CA12CA1CA2
SCHEMBL6448957 0.83 KDM4E (0.47) TSHRTP53CA12CA1CA2
SCHEMBL3893054 0.83 FOLH1 (0.43) TSHRTP53CA12CA1CA2
SCHEMBL928246 0.83 TTR (0.47) TSHRTP53CA12CA1CA2
SCHEMBL2259867 0.82 TSHR (0.59) TSHRTP53CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303415-B1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF ALCON INC (CH) 2022-12-28 EP disclosed
CN-109265443-B Heterocyclic compounds as ASK inhibitors and uses thereof 南京圣和药业股份有限公司 2022-11-29 CN disclosed
US-10324311-B2 Visible-light photoinitiators and uses thereof NOVARTIS AG (CH) 2019-06-18 US disclosed
EP-3303415-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF Novartis AG (CH) 2018-04-11 EP disclosed
EP-3192787-A1 METHOD FOR PRODUCING FULLERENE DERIVATIVE Showa Denko K.K. (JP) 2017-07-19 EP disclosed
US-20160357031-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF ALCON INC. (CH) 2016-12-08 US disclosed
WO-2016193912-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF NOVARTIS AG (CH) 2016-12-08 WO disclosed
WO-2009060206-A1 3,4,6,7-TETRAHYDRO-1H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed
US-5698580-A TREATING DISEASES CAUSED BY RESPIRATORY SYNCYTIAL VIRUS RATIONAL DRUG DESIGN LABORATORIES (JP) 1997-12-16 US disclosed
EP-0770609-A1 ANTIVIRAL AGENT CONTAINING BENZODITHIIN DERIVATIVE AS ACTIVE INGREDIENT Rational Drug Design Laboratories (JP) 1997-05-02 EP disclosed
US-3959351-A INSECTICIDE, CHOLINESTERASE INHIBITOR RESEARCH CORPORATION (US) 1976-05-25 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-10324311-B2 Visible-light photoinitiators and uses thereof SIRT5, IK, IGLV6-57 TSHR 3033/4885TP53 1546/4885CA12 2901/4885
US-20160357031-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF SIRT5, IK, IGLV6-57 TSHR 3033/4885TP53 1546/4885CA12 2901/4885

“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.