SCHEMBL5348309

SCHEMBL5348309

C=C/C=C(/C(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.55
AKT1 P31749 1/20 0.50
KMT2A Q03164 5/20 0.46
AKR1C2 P52895 2/20 0.43
AKR1C3 P42330 2/20 0.43
ALDH1A1 P00352 4/20 0.42
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
PTGS2 P35354 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 3/20 0.41
MEN1 O00255 4/20 0.40
POLB P06746 3/20 0.39

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
SCHEMBL3786208 1.00 AKR1C1 (0.55) AKR1C1AKT1KMT2AAKR1C2AKR1C3
SCHEMBL10943997 0.86 AKR1C1 (0.50) AKR1C1AKT1KMT2AAKR1C2AKR1C3
SCHEMBL27707062 0.86 AKR1C1 (0.50) AKR1C1AKT1KMT2AAKR1C2AKR1C3
SCHEMBL10818747 0.84 AKR1C1 (0.48) AKR1C1AKT1KMT2AAKR1C2AKR1C3
SCHEMBL11671992 0.84 AKR1C1 (0.41) AKR1C1AKT1KMT2AAKR1C2AKR1C3
SCHEMBL3293334 0.84 KMO (0.53) AKR1C1AKT1PTGS2
SCHEMBL11402660 0.83 CES2 (0.48) AKR1C1AKT1KMT2AAKR1C2AKR1C3
SCHEMBL11402663 0.83 CES2 (0.48) AKR1C1AKT1KMT2AAKR1C2AKR1C3
SCHEMBL27909884 0.83 AKT1 (0.47) AKR1C1AKT1KMT2AALDH1A1CES1
SCHEMBL10447305 0.83 AKT1 (0.47) AKR1C1AKT1KMT2AALDH1A1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9077745-A None JP disclosed
CN-116940897-A Photosensitive resin composition and organic EL element partition wall 株式会社力森诺科 2023-10-24 CN disclosed
CN-102532032-B A kind of benzo nitrogen-containing heterocyclic compound, its preparation method, intermediate and application KAIHUI TECHNOLOGY DEVELOPMENT (SHANGHAI) CO., LTD. (CN) 2015-10-21 CN disclosed
CN-102532032-A Benzo nitrogen-containing heterocyclic compound and preparation method, intermediate and application thereof KAIHUI SCIENCE & TECHNOLOGY DEV SHANGHAI CO LTD 2012-07-04 CN disclosed
US-20070254055-A1 Therapeutic Avenanthramide Compounds TRUSTEES OF TUFTS COLLEGE (US) 2007-11-01 US disclosed
US-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
US-20060100274-A1 Therapeutic avenanthramide compounds TRUSTEES OF TUFTS COLLEGE (US) 2006-05-11 US disclosed
US-20050239892-A1 Therapeutic avenathramide compounds TRUSTEES OF TUFTS COLLEGE (US) 2005-10-27 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-4545984-A TOPICAL TREATMENT OF OILY HAIR HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-10-08 US disclosed
EP-0071165-B1 UNSATURATED ARYL KETONES AS ANTISEBORRHOEIC ADDITIVES FOR COSMETIC COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1985-09-04 EP disclosed
US-4528286-A Method of using certain aryl-mercapto-lower-alkanamides as antiseborrheic agents HENKEL KOMMANDITGESELLSCHAFT (KGAA) (DE) 1985-07-09 US disclosed
US-4503244-A Sebosuppressive topical cosmetic preparations containing alkoxybenzoic acid esters, process for inhibiting sebum production and alkoxybenzoic acid esters HENKEL KOMMANDITGESELLSCHAFT (DE) 1985-03-05 US disclosed
US-4439418-A UNSATURATED ARYL KETONE HENKEL KGAA (DE) 1984-03-27 US disclosed
EP-0079899-A1 TOPICAL COSMETIC PREPARATIONS CONTAINING HETERO-ARYL-MERCAPTO-ALKANOIC ACID DERIVATIVES AS ADDITIVES HAVING AN ANTI-SEBORRHEA ACITIVITY. HENKEL KGAA (DE) 1983-06-01 EP disclosed
EP-0079913-A1 ARENE-CARBOXYLIC ACID DERIVATIVES USED AS AGENTS HAVING AN ANTI-SEBORRHEA EFFECT CONTAINED IN COSMETIC COMPOSITIONS. HENKEL KGAA (DE) 1983-06-01 EP disclosed
EP-0071165-A1 Unsaturated aryl ketones as antiseborrhoeic additives for cosmetic compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1983-02-09 EP disclosed
WO-1982004391-A1 DERIVATIVES OF ARYL AND HETERO-ARYL-MERCAPTO-ALKANOIC ACIDS AS ADDITIVES HAVING AN ANTI-SEBORRHEA ACTIVITY FOR COSMETIC PRODUCTS MOELLER HINRICH 1982-12-23 WO disclosed
WO-1982004189-A1 ARENE-CARBOXYLIC ACID DERIVATIVES USED AS AGENTS HAVING AN ANTI-SEBORRHEA EFFECT CONTAINED IN COSMETIC COMPOSITIONS MOELLER HINRICH 1982-12-09 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 (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-20050239892-A1 Therapeutic avenathramide compounds VCAM1, ICAM1, OAT AKR1C1 289/4885AKT1 1638/4885KMT2A 4502/4885
US-20070254055-A1 Therapeutic Avenanthramide Compounds VCAM1, ICAM1, OAT AKR1C1 224/4885AKT1 1380/4885KMT2A 4642/4885
US-20060100274-A1 Therapeutic avenanthramide compounds VCAM1, ICAM1, OAT AKR1C1 412/4885AKT1 1457/4885KMT2A 4603/4885

“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.