Sugi Predict

Sugi Predict / Compounds / SCHEMBL3037795

SCHEMBL3037795

SCHEMBL3037795

O=C1OC(I)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL32672835 1.00 ALDH1A1 (0.53) ALDH1A1MEN1POLBKMT2AHSD17B10
SCHEMBL28962009 0.98 ALDH1A1 (0.52) ALDH1A1MEN1POLBKMT2AHSD17B10
SCHEMBL29791776 0.78 ALDH1A1 (0.59) ALDH1A1MEN1POLBKMT2AHSD17B10
SCHEMBL4820959 0.74 ALDH1A1 (0.55) ALDH1A1MEN1POLBKMT2AHSD17B10
SCHEMBL10542289 0.73 ALDH1A1 (0.53) ALDH1A1MEN1POLBKMT2AHSD17B10
SCHEMBL304982 0.73 ALDH1A1 (0.53) ALDH1A1MEN1POLBKMT2AHSD17B10
SCHEMBL13329531 0.73 ALDH1A1 (0.53) ALDH1A1MEN1POLBKMT2AHSD17B10
SCHEMBL6770346 0.73 ALDH1A1 (0.53) ALDH1A1MEN1POLBKMT2AHSD17B10
SCHEMBL12991261 0.73 ALDH1A1 (0.53) ALDH1A1MEN1POLBKMT2AHSD17B10
SCHEMBL12991705 0.73 ALDH1A1 (0.53) ALDH1A1MEN1POLBKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4115646-A Process for preparing 7-aminocephalosporanic acid derivatives BEECHAM GROUP LIMITED (GB) 1978-09-19 — — US claimed
CN-117624083-A Method for efficiently and selectively oxidizing styrene 安徽金禾化学材料研究所有限公司 2024-03-01 — — CN disclosed
CN-112898241-B Preparation method of styrene oxide 内蒙古齐晖药业有限公司 2023-04-21 — — CN disclosed
US-20210230178-A1 TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2021-07-29 — — US disclosed
WO-2019036537-A1 TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2019-02-21 — — WO disclosed
US-20190002473-A1 COMPOUNDS FOR TREATMENT OF PAIN BioPharma Works LLC 2019-01-03 — — US disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 — — WO disclosed
US-8217013-B2 Polyene diester antibiotics SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2012-07-10 — — US disclosed
US-20100210576-A1 POLYENE DIESTER ANTIBIOTICS SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY 2010-08-19 — — US disclosed
EP-2174944-A1 POLYENE DIESTER ANTIBIOTICS Shanghai Institute of Pharmaceutical Industry (CN) 2010-04-14 — — EP disclosed
US-20050085534-A1 Process for the preparation of citalopram RANBAXY LABORATORIES (IN) 2005-04-21 — — US disclosed
EP-1370545-A4 PROCESS FOR THE PREPARATION OF CITALOPRAM RANBAXY LAB LTD (IN) 2005-03-16 — — EP disclosed
EP-1370545-A1 PROCESS FOR THE PREPARATION OF CITALOPRAM Ranbaxy Laboratories, Limited (IN) 2003-12-17 — — EP disclosed
WO-2002072565-A1 PROCESS FOR THE PREPARATION OF CITALOPRAM RANBAXY LABORATORIES LIMITED (IN) 2002-09-19 — — WO disclosed
EP-0074783-B1 BETA-LACTAMASE INHIBITING 2-BETA-SUBSTITUTED-2-ALPHA-METHYL-(5R) PENAM-3-ALPHA-CARBOXYLIC ACID 1,1-DIOXIDES AND INTERMEDIATES THEREFOR PFIZER INC. (US) 1985-07-31 — — EP disclosed
EP-0074783-A1 Beta-lactamase inhibiting 2-beta-substituted-2-alpha-methyl-(5R) penam-3-alpha-carboxylic acid 1,1-dioxides and intermediates therefor PFIZER INC. (US) 1983-03-23 — — EP disclosed
US-4356174-A ANTIBIOTIC PFIZER INC. (US) 1982-10-26 — — US disclosed
US-4115646-A Process for preparing 7-aminocephalosporanic acid derivatives BEECHAM GROUP LIMITED (GB) 1978-09-19 — — 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 (4 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-20050085534-A1 Process for the preparation of citalopram SLC6A4, SLC6A2, MAOA ALDH1A1 527/4885MEN1 1737/4885POLB 2260/4885
US-20190002473-A1 COMPOUNDS FOR TREATMENT OF PAIN OPRL1, OPRK1, ACHE ALDH1A1 732/4885MEN1 3247/4885POLB 3956/4885
US-20210230178-A1 TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS ANXA5, HCCS, BAX ALDH1A1 3386/4885MEN1 3511/4885POLB 2581/4885
US-20100210576-A1 POLYENE DIESTER ANTIBIOTICS CYP51A1, DBF4, DECR1 ALDH1A1 612/4885MEN1 1918/4885POLB 439/4885

“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.