SCHEMBL6896309

SCHEMBL6896309

C=CC(C)(O)/C=C/C1=C(C)CCCC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 9/20 0.48
PTGS1 P23219 4/20 0.48
LMNA P02545 2/20 0.48
DRD3 P35462 2/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
HAO1 Q9UJM8 1/20 0.46
CYP3A4 P08684 5/20 0.44
APP P05067 4/20 0.44
SNCA P37840 4/20 0.44
ALOX15 P16050 3/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR2E1 Q9Y466 1/20 0.44
MAPT P10636 6/20 0.42
RXRA P19793 5/20 0.42
RARA P10276 5/20 0.42
RARB P10826 5/20 0.42

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
SCHEMBL6896312 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL22125376 0.86 CYP1A2 (0.51) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL22125377 0.86 CYP1A2 (0.51) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL7898750 0.85 CYP1A2 (0.57) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL7898751 0.85 CYP1A2 (0.57) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL11065288 0.83 ALDH1A1 (0.68) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL11065284 0.83 ALDH1A1 (0.68) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL5268321 0.79 CYP1A2 (0.45) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL5268328 0.79 CYP1A2 (0.45) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL5268330 0.79 CYP1A2 (0.45) CYP1A2ALDH1A1PTGS1LMNADRD3

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
CN-110304990-B Green process for producing vinyl beta-ionol 南京瑞鼎生物医药有限公司 2022-10-25 CN claimed
CN-109651150-B Method for preparing vitamin A acetate 万华化学集团股份有限公司 2022-02-18 CN claimed
US-6828468-B2 By base-catalyzed monoethynylation of a ketone in liquid ammonia BASF AKTIENGESELLSCHAFT (DE) 2004-12-07 US claimed
US-20020183565-A1 Preparation of higher alpha, beta-unsaturated alcohols BASF AKTIENGESELLSCHAFT (DE) 2002-12-05 US claimed
EP-1256560-A2 Process for the preparation of higher alpha,beta-unsaturated alcohols BASF AKTIENGESELLSCHAFT (DE) 2002-11-13 EP claimed
JP-8311089-A None JP disclosed
WO-2024133318-A1 NEW INTERMEDIATE FOR BETA-CAROTENE SYNTHESIS DSM IP ASSETS B.V. (NL) 2024-06-27 WO disclosed
CN-116712755-A Method for separating and purifying phosphonate, phosphonate and vitamin A acetate prepared by same 江西天新药业股份有限公司 2023-09-08 CN disclosed
CN-110304990-B Green process for producing vinyl beta-ionol 南京瑞鼎生物医药有限公司 2022-10-25 CN disclosed
CN-110304990-B Green process for producing vinyl beta-ionol 南京瑞鼎生物医药有限公司 2022-10-25 CN disclosed
CN-110304990-B Green process for producing vinyl beta-ionol 南京瑞鼎生物医药有限公司 2022-10-25 CN disclosed
CN-109651150-B Method for preparing vitamin A acetate 万华化学集团股份有限公司 2022-02-18 CN disclosed
US-20080207946-A1 PROCESS FOR PREPARATION OF HIGHLY PURE ISOTRETINOIN IPCA LABORATORIES LIMITED (IN) 2008-08-28 US disclosed
US-20080207946-A1 PROCESS FOR PREPARATION OF HIGHLY PURE ISOTRETINOIN IPCA LABORATORIES LIMITED (IN) 2008-08-28 US disclosed
US-20070082950-A1 Method for producing vitamin a acetate BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070082950-A1 Method for producing vitamin a acetate BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-6828468-B2 By base-catalyzed monoethynylation of a ketone in liquid ammonia BASF AKTIENGESELLSCHAFT (DE) 2004-12-07 US disclosed
US-20020183565-A1 Preparation of higher alpha, beta-unsaturated alcohols BASF AKTIENGESELLSCHAFT (DE) 2002-12-05 US disclosed
EP-1256560-A2 Process for the preparation of higher alpha,beta-unsaturated alcohols BASF AKTIENGESELLSCHAFT (DE) 2002-11-13 EP disclosed
JP-H08311089-A PRODUCTION OF PHOSPHONATE COMPOUND TAKEDA CHEM IND LTD 1996-11-26 JP 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-20070082950-A1 Method for producing vitamin a acetate TTPA, ADH7, VNN1 CYP1A2 270/4885ALDH1A1 305/4885PTGS1 1348/4885
US-20020183565-A1 Preparation of higher alpha, beta-unsaturated alcohols ADH1C, CHKB, PDK3 CYP1A2 423/4885ALDH1A1 121/4885PTGS1 1011/4885
US-20080207946-A1 PROCESS FOR PREPARATION OF HIGHLY PURE ISOTRETINOIN RARA, RARB, RARG CYP1A2 145/4885ALDH1A1 838/4885PTGS1 2199/4885

“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.