SCHEMBL128588

SCHEMBL128588

CCOC(=O)c1c[c]ccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL127761 0.86 LMNA (0.64) ESR1LMNACYP1A2CYP3A4TSHR
SCHEMBL9070423 0.85 SMN1; SMN2 (0.51) ESR1LMNATSHRSMN1; SMN2CYP4F2
SCHEMBL8180461 0.84 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL8180463 0.84 SMN1; SMN2 (0.50) ESR1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL125941 0.83 L3MBTL1 (0.56) ESR1LMNACYP1A2CYP3A4TSHR
SCHEMBL1510145 0.83 TP53 (0.51) SMN1; SMN2NPC1RAB9ACYP4F2CYP4A11
SCHEMBL5541610 0.82 LMNA (0.56) ESR1LMNACYP1A2CYP3A4TSHR
SCHEMBL5846076 0.82 TDP1 (0.39) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL6952025 0.81 ALDH1A1 (0.53) LMNATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL8171785 0.81 TSHR (0.53) CA1CA2ESR1ESR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US claimed
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 US claimed
CN-114761000-A Substituted 1, 6-naphthyridine inhibitors of CDK5 金翅雀生物公司 2022-07-15 CN claimed
US-20220151991-A1 SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-05-19 US claimed
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents SYNGENTA CROP PROTECTION AG (CH) 2022-03-15 US claimed
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP claimed
EP-3728237-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP claimed
EP-3937919-A1 SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION Board of Regents, The University of Texas System (US) 2022-01-19 EP claimed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO claimed
CN-111087305-B Beta-fluoroalkyl cinnamate compound and preparation method thereof 南京工业大学 2021-08-27 CN claimed
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 EP claimed
EP-0221211-B1 USE OF SECONDARY AMIDE COMPOUNDS FOR THE MANUFACTURE OF MEDICAMENTS FOR THE TREATMENT OF DERMATOLOGICAL INFLAMMATION UNILEVER PLC (GB) 1989-01-11 EP claimed
US-4769325-A 2-(Allenyl)penicillins BALDWIN JACK E (GB) 1988-09-06 US claimed
US-4742083-A Method of relieving pain and inflammatory conditions employing substituted salicylamides LEVER BROTHERS COMPANY (US) 1988-05-03 US claimed
US-4725590-A SKIN DISORDERS; ANTIACNE SHAMPOO AND SOAP LEVER BROTHERS COMPANY (US) 1988-02-16 US claimed
EP-0223515-A2 Oral compositions comprising salicylamides and zinc salts for the synergistic inhibition of dental plaque UNILEVER PLC (GB) 1987-05-27 EP claimed
EP-0221211-A1 Use of secondary amide compounds for the manufacture of medicaments for the treatment of dermatological inflammation UNILEVER PLC (GB) 1987-05-13 EP claimed
EP-0218323-A1 2-Propadienyl penicillin derivatives and intermediates Baldwin, Jack Edward (GB) 1987-04-15 EP claimed
US-4647452-A Oral compositions of salicylamides and zinc salts for the synergistic inhibition of dental plaque LEVER BROTHERS COMPANY (US) 1987-03-03 US claimed
US-4560549-A TOPICAL AND SYSTEMICAL; HUMANS ANIMALS; MICROBIOCIDES LEVER BROTHERS COMPANY (US) 1985-12-24 US claimed

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-20220151991-A1 SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION GRB2, KRAS, HRAS CA12 4588/4885CA1 4699/4885CA2 3805/4885
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents UNG, TYMP, TYMS CA12 4133/4885CA1 3063/4885CA2 2447/4885
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 CDK5, CDK5R1, PKD1 CA12 4550/4885CA1 2682/4885CA2 2907/4885
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS CA12 4178/4885CA1 3077/4885CA2 2425/4885

“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.