SCHEMBL4666701

SCHEMBL4666701

CC1=C(CO)C(C)(C)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ACHE P22303 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
RARA P10276 1/20 0.40
RXRA P19793 1/20 0.40
HAO1 Q9UJM8 1/20 0.38
ALOX15 P16050 2/20 0.38
NR1I2 O75469 1/20 0.38
USP2 O75604 1/20 0.38
RBP4 P02753 1/20 0.38
APP P05067 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL14993232 0.86 ALDH1A1 (0.33) ALDH1A1MAPTGAANPSR1ACHE
SCHEMBL4304302 0.83 ALDH1A1 (0.49) ALDH1A1MAPTGAANPSR1ACHE
SCHEMBL19928616 0.80 ALDH1A1 (0.42) ALDH1A1MAPTGAANPSR1ACHE
SCHEMBL13779270 0.78 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1ACHE
SCHEMBL5360647 0.78 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1ACHE
SCHEMBL1634590 0.78 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1ACHE
SCHEMBL13570117 0.78 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1ACHE
SCHEMBL19227398 0.78 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1ACHE
SCHEMBL11794721 0.78 ALDH1A1 (0.41) ALDH1A1MAPTGAANPSR1ACHE
SCHEMBL7017316 0.77 ALDH1A1 (0.45) ALDH1A1MAPTGAANPSR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083682-B A kind of preparation method of the carotenal of β Apos 8 ' 广州巨元生化有限公司 2017-10-27 CN claimed
CN-105646311-B The method that one kind prepares the carrot aldehyde of β Apos 8 ' 广州巨元生化有限公司 2017-09-26 CN claimed
CN-106083682-A A kind of preparation method of β apo-8 ' carotenal 广州巨元生化有限公司 2016-11-09 CN claimed
US-11773060-B2 Method for synthesis of 9-cis-beta-carotene and formulations thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2023-10-03 US disclosed
US-20210317143-A9 BORONIC ESTER PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-10-14 US disclosed
US-20200369685-A1 BORONIC ESTER PRODRUGS AND USES THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2020-11-26 US disclosed
WO-2020236253-A1 BORONIC ESTER PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-11-26 WO disclosed
EP-2785178-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-05-01 EP disclosed
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2019-02-12 US disclosed
US-10201533-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-02-12 US disclosed
US-20190023649-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS, INC. (US) 2019-01-24 US disclosed
US-8420863-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-04-16 US disclosed
US-8420863-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-04-16 US disclosed
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2012-05-24 US disclosed
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2012-05-24 US disclosed
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 US disclosed
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 US disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed
EP-1961725-A1 Odorous and aroma substances, their manufacture and utilisation Symrise GmbH & Co. KG (DE) 2008-08-27 EP disclosed
US-3953524-A Catalytic hydrogenation of alpha,beta-unsaturated aldehydes to alpha,beta-unsaturated alcohols HOFFMANN-LA ROCHE INC. (US) 1976-04-27 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 (8 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-20200369685-A1 BORONIC ESTER PRODRUGS AND USES THEREOF BRCA1, BTD, BCHE ALDH1A1 731/4885MAPT 1387/4885GAA 32/4885
US-20210317143-A9 BORONIC ESTER PRODRUGS AND USES THEREOF BRCA1, BTD, BCHE ALDH1A1 731/4885MAPT 1387/4885GAA 32/4885
US-20120129860-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 ALDH1A1 336/4885MAPT 38/4885GAA 1224/4885
US-20190023649-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, PDE6C ALDH1A1 2346/4885MAPT 1065/4885GAA 2480/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 ALDH1A1 336/4885MAPT 38/4885GAA 1224/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 ALDH1A1 336/4885MAPT 38/4885GAA 1224/4885
US-10201533-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors NQO2, CYP3A5, QTRT1 ALDH1A1 1564/4885MAPT 3742/4885GAA 931/4885
US-11773060-B2 Method for synthesis of 9-cis-beta-carotene and formulations thereof BHMT2, CBS, TTPA ALDH1A1 2244/4885MAPT 3341/4885GAA 3107/4885

“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.