SCHEMBL9541553

SCHEMBL9541553

CCOC(=O)c1ccc(I)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
HSD17B10 Q99714 6/20 0.60
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 5/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
ALOX15 P16050 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
Hydrochloric Acid SCHEMBL9541252 0.98 ALDH1A1 (0.58) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL20655934 0.87 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRGAAMAPK1
SCHEMBL5621223 0.87 ALDH1A1 (0.60) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL4626816 0.84 TSHR (0.60) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL3687067 0.83 ALDH1A1 (0.64) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL29375324 0.83 ALDH1A1 (0.64) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL1840091 0.83 TSHR (0.53) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL2132644 0.83 ALDH1A1 (0.64) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL16993665 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10TSHRMAPK1LMNA
SCHEMBL6031436 0.81 CA12 (0.70) ALDH1A1HSD17B10CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107176945-B Retinoid compound, preparation method, intermediate and application thereof 中国科学院上海有机化学研究所 2021-06-08 CN disclosed
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-09 US disclosed
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-09 US disclosed
US-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADMENY OF SCIENCES (CN) 2020-02-11 US disclosed
US-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADMENY OF SCIENCES (CN) 2020-02-11 US disclosed
US-20190092744-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2019-03-28 US disclosed
US-20190092744-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2019-03-28 US disclosed
EP-3428155-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-01-16 EP disclosed
CN-107176945-A A kind of retinoid compound, its preparation method, intermediate and application 中国科学院上海有机化学研究所 2017-09-19 CN disclosed
WO-2017152725-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2017-09-14 WO disclosed
WO-1993012795-A1 QUINAZOLIN-4(3H)-ONE DERIVATIVES AS ANTICOCCIDIAL AGENTS GLAZER EDWARD A (US) 1993-07-08 WO disclosed
US-4920224-A CHEMICAL INTERMEDIATES PFIZER INC. (US) 1990-04-24 US disclosed
US-4849518-A ANTIPROTOZOA IN POULTRY PFIZER INC. (US) 1989-07-18 US disclosed
US-4762838-A Quinazolin-4(3H)-one derivatives as anticoccidial agents PFIZER INC. (US) 1988-08-09 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-20190092744-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF RARA, RARB, RARG ALDH1A1 163/4885HSD17B10 248/4885CA12 1373/4885
US-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof RARA, RARB, RARG ALDH1A1 163/4885HSD17B10 248/4885CA12 1373/4885
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF RARA, RARB, RARG ALDH1A1 163/4885HSD17B10 248/4885CA12 1373/4885

“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.