Sugi Predict

Sugi Predict / Compounds / SCHEMBL81658

SCHEMBL81658

SCHEMBL81658

Cc1cccc(/C=C/CO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.55
▸ PTGS2 P35354 3/20 0.55
▸ ALOX5 P09917 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ RELA Q04206 1/20 0.49
▸ FBP1 P09467 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ MAOA P21397 2/20 0.45
▸ MAOB P27338 2/20 0.45
▸ ACHE P22303 2/20 0.42
▸ RHOA P61586 1/20 0.41
▸ IDO1 P14902 2/20 0.41

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
SCHEMBL81659 1.00 PTGS1 (0.55) PTGS1PTGS2ALOX5ALDH1A1CYP3A4
SCHEMBL9281030 0.85 ALDH1A1 (0.59) PTGS1ALDH1A1CYP3A4RECQLFBP1
SCHEMBL9272281 0.85 ALDH1A1 (0.59) PTGS1ALDH1A1CYP3A4RECQLFBP1
SCHEMBL7643195 0.85 PTGS1 (0.51) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL8442071 0.82 TP53 (0.52) PTGS1PTGS2ALOX5TP53TDP1
Cinnamic Alcohol SCHEMBL27980025 0.82 PAM (0.48) PTGS1PTGS2ALOX5ALDH1A1CYP3A4
SCHEMBL8442069 0.82 TP53 (0.52) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL19227545 0.82 TP53 (0.52) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL1795132 0.80 PTGS1 (0.69) PTGS1PTGS2ALOX5ALDH1A1TP53
SCHEMBL21847980 0.80 PTGS1 (0.69) PTGS1PTGS2ALOX5ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4021411-A Production of high molecular weight α,β-unsaturated aldehydes BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-05-03 — — US claimed
CN-113135816-A Method for synthesizing photoactive bromohydrin compound 常州大学 2021-07-20 — — CN disclosed
CN-108947754-B Use of bidentate phosphite ligands in C-F bond building reactions 郑州大学 2021-02-26 — — CN disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 — — EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 — — EP disclosed
US-20150183727-A1 METHOD FOR THE PREPARATION OF 1-ARYL-1-ALKYL-2-ALKYL-3-DIALKYLAMINOPROPANE COMPOUNDS SIEGFRIED AG (CH) 2015-07-02 — — US disclosed
US-8759586-B2 Processes for the preparation of cinacalcet RANBAXY LABORATORIES LIMITED (IN) 2014-06-24 — — US disclosed
US-20130150622-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 — — US disclosed
US-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2012-12-06 — — US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 — — US disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 — — US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 — — US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 — — US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 — — US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 — — US disclosed
US-4058536-A Production of high molecular weight α,β-unsaturated aldehydes BASF AKTIENGESELLSCHAFT (DT) 1977-11-15 — — US disclosed
US-4021411-A Production of high molecular weight α,β-unsaturated aldehydes BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-05-03 — — US disclosed
US-3965193-A Production of high molecular weight α,β-unsaturated aldehydes BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-06-22 — — US disclosed
US-3954804-A Production of high molecular weight unsaturated ketones BASF AKTIENGESELLSCHAFT (DT) 1976-05-04 — — US disclosed
US-3932462-A Manufacture of unsaturated ketones BASF AKTIENGESELLSCHAFT (DT) 1976-01-13 — — 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-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET CA4, SI, CA9 PTGS1 4013/4885PTGS2 4288/4885ALOX5 2957/4885
US-20150183727-A1 METHOD FOR THE PREPARATION OF 1-ARYL-1-ALKYL-2-ALKYL-3-DIALKYLAMINOPROPANE COMPOUNDS CYP3A43, CYP1A2, CYP2C8 PTGS1 1847/4885PTGS2 1749/4885ALOX5 4068/4885
US-20130150622-A1 STEREOSELECTIVE SYNTHESIS OF TAPENTADOL AND ITS SALTS SLC6A2, SLC6A4, SLC6A6 PTGS1 614/4885PTGS2 844/4885ALOX5 1488/4885

“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.