SCHEMBL539982

SCHEMBL539982

CCOC(=O)c1ccc(I)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.55
MAP2K2 P36507 1/20 0.55
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 2/20 0.50
NPC1 O15118 2/20 0.47
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4150684 0.87 MAP2K2 (0.52) MAP2K1MAP2K2CA12CA1CA2
SCHEMBL9850701 0.84 TSHR (0.55) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL4626816 0.84 TSHR (0.60) MAP2K1MAP2K2CA12CA1CA2
SCHEMBL26586786 0.83 POLB (0.41) MAP2K1MAP2K2ALDH1A1TDP1POLB
SCHEMBL367075 0.83 TSHR (0.57) CA12CA1CA2CA7CA9
SCHEMBL7222675 0.83 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL1840091 0.83 TSHR (0.53) MAP2K1MAP2K2CA12CA1CA2
SCHEMBL9710361 0.82 MAPT (0.48) MAP2K1MAP2K2TSHRALDH1A1TDP1
SCHEMBL9699965 0.82 TSHR (0.57) TSHRNPC1ALDH1A1HSD17B10TDP1
SCHEMBL927276 0.81 CA12 (0.70) CA12CA1CA2CA7CA9

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 57 patents — showing the first 20. 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-20200237737-A1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2020-07-30 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-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-10660881-B2 Compounds and compositions for inducing chondrogenesis NOVARTIS AG (CH) 2020-05-26 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-20190314348-A1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2019-10-17 US disclosed
EP-3092239-B1 ARYL SULTAM DERIVATIVES AS RORC MODULATORS HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
EP-3092239-B1 ARYL SULTAM DERIVATIVES AS RORC MODULATORS HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
EP-1042313-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY Allergan Sales, Inc. (US) 2000-10-11 EP disclosed
US-6037488-A COMPOUNDS SUCH AS 4-((4'-ISOPROPOXY-3'-(1-M-TOLYL)VINYL)PHENYLETHYNYL)BENZOIC ACID ALLERGAN SALES, INC. (US) 2000-03-14 US disclosed
EP-0975573-A1 TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2000-02-02 EP disclosed
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed
EP-0937045-A1 N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY Allergan Sales, Inc. (US) 1999-08-25 EP disclosed
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO disclosed
US-5919970-A Substituted diaryl or diheteroaryl methanes, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity ALLERGAN SALES, INC. (US) 1999-07-06 US disclosed
WO-1998047854-A1 TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1998-10-29 WO disclosed
WO-1998019999-A1 N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY ALLERGAN SALES, INC. (US) 1998-05-14 WO disclosed
US-5739338-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS, VISION DEFECTS, VIRICIDES, IMMUNOSUPPRESSANTS ALLERGAN (US) 1998-04-14 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 (5 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-20190314348-A1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS FGF1, COL2A1, FGFR3 MAP2K1 2723/4885MAP2K2 2544/4885CA12 203/4885
US-20200237737-A1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS FGF1, COL2A1, FGFR3 MAP2K1 2723/4885MAP2K2 2544/4885CA12 203/4885
US-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof RARA, RARB, RARG MAP2K1 2713/4885MAP2K2 2702/4885CA12 1373/4885
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF RARA, RARB, RARG MAP2K1 2713/4885MAP2K2 2702/4885CA12 1373/4885
US-10660881-B2 Compounds and compositions for inducing chondrogenesis FGF1, COL2A1, FGFR3 MAP2K1 2723/4885MAP2K2 2544/4885CA12 203/4885

“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.