SCHEMBL848161

SCHEMBL848161

CC(C)(C)c1ccc(O)c(I)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
ALOX15 P16050 4/20 0.64
HSD17B10 Q99714 2/20 0.64
HPGD P15428 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 4/20 0.57
MEN1 O00255 2/20 0.57
GAA P10253 2/20 0.57
PKM P14618 2/20 0.57
KMT2A Q03164 2/20 0.57
RECQL P46063 1/20 0.57
CYP2D6 P10635 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.46
TYR P14679 2/20 0.46
ESR1 P03372 3/20 0.45
SIRT1 Q96EB6 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 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
SCHEMBL29587855 1.00 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10HPGDTDP1
Hydrochloric Acid SCHEMBL7155213 0.90 LMNA (0.59) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL31275474 0.86 ESR1 (0.52) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL24106120 0.84 ALDH1A1 (0.45) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL19880346 0.84 ESR1 (0.59) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL23868657 0.83 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL30423766 0.82 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL813469 0.82 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL31275958 0.81 ESR1 (0.47) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL31276035 0.81 ESR1 (0.47) ALDH1A1ALOX15HSD17B10HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707849-A1 USE OF DERIVATIVES OF 2,4-BISUBSTITUTED PHENOLS AS 5-LIPOXIGENASE INHIBITORS BOBEL246 S.L. (ES) 1996-04-24 EP claimed
WO-2023245297-A1 FERROPTOSIS INHIBITORS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2023-12-28 WO disclosed
US-20220025085-A1 BIARYL HYDROXYTHIOPHENE GROUP IV TRANSITION METAL POLYMERIZATION CATALYSTS WITH CHAIN TRANSFER CAPABILITY DOW GLOBAL TECHNOLOGIES LLC (US) 2022-01-27 US disclosed
EP-1861357-B1 NOVEL COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2013-04-24 EP disclosed
CN-102675326-A Preparation method of 3,4-dihydrobenzene benzopyran [3,4-c] pyrazole tricyclic compound UNIV EAST CHINA SCIENCE & TECH 2012-09-19 CN disclosed
EP-2432554-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-03-28 EP disclosed
WO-2012027448-A1 PROCESS FOR POLYMERIZING A POLYMERIZABLE OLEFIN AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC (US) 2012-03-01 WO disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
WO-2010133528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-25 WO disclosed
US-7763657-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-07-27 US disclosed
EP-1458700-A2 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS Wyeth (US) 2004-09-22 EP disclosed
US-6774248-B2 ANTICANCER AGENTS; ANTICHOLESTEROL AGENTS; COGNITION ACTIVATORS; RHEUMATIC DISEASES WYETH 2004-08-10 US disclosed
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents WYETH 2003-09-11 US disclosed
WO-2003051860-A2 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS WYETH (US) 2003-06-26 WO disclosed
EP-0707849-B1 USE OF DERIVATIVES OF 2,4-DISUBSTITUTED PHENOLS AS 5-LIPOXIGENASE INHIBITORS BOBEL246 S L (ES) 2001-12-19 EP disclosed
EP-0707849-A1 USE OF DERIVATIVES OF 2,4-BISUBSTITUTED PHENOLS AS 5-LIPOXIGENASE INHIBITORS BOBEL246 S.L. (ES) 1996-04-24 EP disclosed
US-4312887-A 2-Hydroxylaminomethyl phenols ABBOTT LABORATORIES (US) 1982-01-26 US disclosed
US-4245099-A ANTIINFLAMMATORY, ANALGESIC, DIURETIC, ANTIPYRETIC AND HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1981-01-13 US disclosed
EP-0001266-A1 Substituted 2-aminomethylphenyl sulfamates, process for preparing, and pharmaceutical compositions containing the same MERCK & CO. INC. (US) 1979-04-04 EP disclosed
US-4029816-A ANTIHYPERTENSIVE, DIURETIC, SALURETIC MERCK & CO., INC. (US) 1977-06-14 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 (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-20220025085-A1 BIARYL HYDROXYTHIOPHENE GROUP IV TRANSITION METAL POLYMERIZATION CATALYSTS WITH CHAIN TRANSFER CAPABILITY TRMT1, GFPT1, BCAT1 ALDH1A1 421/4885ALOX15 777/4885HSD17B10 227/4885
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 ALDH1A1 505/4885ALOX15 3025/4885HSD17B10 1151/4885

“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.