SCHEMBL94930

SCHEMBL94930

O=Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ERN1 O75460 4/20 0.50
TSHR P16473 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 1/20 0.41
RECQL P46063 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 1/20 0.39
PTPN1 P18031 1/20 0.38
AHR P35869 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL38660328 0.83 ERN1 (0.48) ALDH1A1TDP1MEN1KMT2AERN1
SCHEMBL1067996 0.83 ERN1 (0.52) ALDH1A1TDP1MEN1KMT2AERN1
SCHEMBL6060504 0.83 ERN1 (0.42) ALDH1A1TDP1MEN1KMT2AERN1
SCHEMBL30417210 0.83 ERN1 (0.52) ALDH1A1TDP1MEN1KMT2AERN1
SCHEMBL2429712 0.78 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AERN1
SCHEMBL320379 0.78 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AERN1
SCHEMBL209239 0.78 HSD17B10 (0.50) ALDH1A1TDP1MEN1KMT2AERN1
SCHEMBL6111862 0.78 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AERN1
SCHEMBL17056841 0.78 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AERN1
SCHEMBL6061080 0.78 ERN1 (0.38) ALDH1A1TDP1MEN1KMT2AERN1

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 620 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459422-A Thiazole thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
CN-118459420-A Thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
CN-108103540-B Tin alloy electroplating solution 永星化工(上海)有限公司 2020-01-07 CN claimed
EP-2595948-B1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LTD (IE) 2019-09-04 EP claimed
EP-3106477-B1 (METH)ACRYLIC ACID ESTER COMPOUND AND PRODUCTION METHOD THEREFOR MITSUBISHI GAS CHEMICAL CO (JP) 2018-08-29 EP claimed
CN-108103540-A Tin alloy electric plating liquid 永星化工(上海)有限公司 2018-06-01 CN claimed
CN-106414480-A POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS 莫纳什大学 2017-02-15 CN claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2004018451-A1 PYRIDAZINONE-DERIVATIVES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2004-03-04 WO claimed
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP claimed
US-20030162963-A1 Novel expanded porphyrins and process for the synthesis thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2003-08-28 US claimed
EP-1306380-A1 NOVEL EXPANDED PORPHYRINS AND PROCESS FOR THE SYNTHESIS THEREOF Japan Science and Technology Corporation (JP) 2003-05-02 EP claimed
EP-1216251-B1 REGIOSELECTIVE SYNTHESIS OF RAPAMYCIN DERIVATIVES WYETH CORP (US) 2003-02-26 EP claimed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO claimed
EP-1216251-A2 REGIOSELECTIVE SYNTHESIS OF RAPAMYCIN DERIVATIVES Wyeth (US) 2002-06-26 EP claimed
US-20010039338-A1 Regioselective synthesis of rapamycin derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US claimed
WO-2001023395-A2 REGIOSELECTIVE SYNTHESIS OF RAPAMYCIN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-04-05 WO claimed
US-4727079-A Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides UNIVERSITY OF FLORIDA (US) 1988-02-23 US claimed

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-20030162963-A1 Novel expanded porphyrins and process for the synthesis thereof AAAS, PAM, AHR ALDH1A1 3008/4885TDP1 4734/4885MEN1 952/4885
US-20010039338-A1 Regioselective synthesis of rapamycin derivatives RICTOR, MTOR, RPTOR ALDH1A1 4478/4885TDP1 4808/4885MEN1 667/4885

“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.