SCHEMBL3370074

SCHEMBL3370074

O=C(O)c1c(I)ccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.59
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
KDM4E B2RXH2 4/20 0.59
GLA P06280 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
WDR5 P61964 1/20 0.50
METAP2 P50579 2/20 0.49
METAP1 P53582 1/20 0.49
LDHA P00338 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
USP2 O75604 1/20 0.47
CDC25B P30305 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN2A Q12879 1/20 0.46

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
SCHEMBL22129863 0.91 HPRT1 (0.50) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL3369928 0.83 ALDH1A1 (0.58) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL4124403 0.82 NCEH1 (0.55) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL4960213 0.81 NCEH1 (0.42) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL1661024 0.79 HSD17B10 (0.63) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL29376013 0.78 WDR5 (0.68) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL1809752 0.78 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL29593799 0.78 ALDH1A1 (0.61) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL33850 0.78 WDR5 (0.68) HSD17B10ALDH1A1HPGDKDM4EGLA
SCHEMBL29376732 0.78 ALDH1A1 (0.61) HSD17B10ALDH1A1HPGDKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116355032-A Preparation process of deoxycholic acid key intermediate 广州健康元呼吸药物工程技术有限公司 2023-06-30 CN claimed
CN-116355032-A Preparation process of deoxycholic acid key intermediate 广州健康元呼吸药物工程技术有限公司 2023-06-30 CN disclosed
US-20230176481-A1 FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-06-08 US disclosed
WO-2020130081-A1 METHOD FOR PRODUCING 2-IODOSOBENZOIC ACIDS 学校法人立命館 2020-06-25 WO disclosed
EP-2360161-B1 Preparation and use of magnesium amides MUNICHEM GMBH (DE) 2016-08-31 EP disclosed
US-8669375-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-11 US disclosed
US-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-14 US disclosed
US-8318964-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-8134005-B2 Preparation and use of magnesium amides Ludwig-Maximilians-Universitat München (DE) 2012-03-13 US disclosed
EP-2360161-A1 Preparation and use of magnesium amides Ludwig-Maximilians-Universität München (DE) 2011-08-24 EP disclosed
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 2005-10-20 US disclosed
EP-1548002-A1 PROCESS FOR PRODUCING AMINOALKYLSULFONIC ACID AND METHOD OF SALT EXCHANGE FOR SALT THEREOF Wako Pure Chemical Industries, Ltd. (JP) 2005-06-29 EP disclosed
CN-1622943-A Heterocyclic onium salt WAKO PURE CHEM IND LTD (JP) 2005-06-01 CN disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1481973-A1 HETEROCYCLE-BEARING ONIUM SALTS Wako Pure Chemical Industries, Ltd. (JP) 2004-12-01 EP disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed
EP-0236348-B1 CARBONYLATION PROCESS FOR THE PRODUCTION OF AROMATIC ACIDS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1990-05-02 EP disclosed
EP-0236348-A1 CARBONYLATION PROCESS FOR THE PRODUCTION OF AROMATIC ACIDS. EASTMAN KODAK CO (US) 1987-09-16 EP disclosed
US-4649216-A Carbonylation process for the production of aromatic acids EASTMAN KODAK COMPANY (US) 1987-03-10 US disclosed
WO-1987000829-A1 CARBONYLATION PROCESS FOR THE PRODUCTION OF AROMATIC ACIDS EASTMAN KODAK COMPANY (US) 1987-02-12 WO 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-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A HSD17B10 47/4885ALDH1A1 261/4885HPGD 2165/4885
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether NOX4, CBR1, CBR3 HSD17B10 1394/4885ALDH1A1 1190/4885HPGD 1227/4885

“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.