SCHEMBL6905707

SCHEMBL6905707

[CH]=C/C=C(\C)CCC=C(C)C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.54
CYP3A4 P08684 2/20 0.54
ALOX15 P16050 2/20 0.54
NR1I2 O75469 1/20 0.53
LMNA P02545 1/20 0.53
PGR P06401 1/20 0.53
MAPT P10636 2/20 0.52
UGT1A1 P22309 1/20 0.52
SQLE Q14534 6/20 0.50
KDM4E B2RXH2 2/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL6905709 1.00 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL6905665 0.96 KMT2A (0.67) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL6905662 0.96 KMT2A (0.67) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL6906368 0.82 NR1I2 (0.77) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL28575170 0.80 NR1I2 (0.76) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL6905552 0.78 NR1I2 (0.56) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL25396940 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL10711405 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL1618949 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL1618947 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118058281-B Application of DMNT in preventing and controlling liriomyza sativae 浙江大学海南研究院 2024-07-12 CN claimed
US-4125735-A Synthesis of esters of acetylenic alcohols SCM CORPORATION (US) 1978-11-14 US claimed
US-4115466-A ACETYLENIC HYDROCARBONS FROM ACETYLENIC CARBINOLS, ISOMERIZATION SCM CORPORATION (US) 1978-09-19 US claimed
CN-118058281-B Application of DMNT in preventing and controlling liriomyza sativae 浙江大学海南研究院 2024-07-12 CN disclosed
CN-118058281-A Application of DMNT in preventing and controlling liriomyza sativae 浙江大学海南研究院 2024-05-24 CN disclosed
US-6703527-B2 REACTING ALLYL ALCOHOL COMPOUND SUCH AS 2E,6E-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-OL WITH HYDRIDE ACCEPTOR SUCH AS 2-NITROBENZALDEHYDE IN THE PRESENCE OF AN ALUMINIUM ALKOXIDE AS AN OPPENAUER OXIDATION CATALYST NIKKEN CHEMICALS CO., LTD. (JP) 2004-03-09 US disclosed
EP-0837062-B1 Preparation of cyclocarbonates HOFFMANN LA ROCHE (CH) 2003-12-03 EP disclosed
US-20020198411-A1 Method for oxidation of allyl alcohol NIKKEN CHEMICALS CO., LTD. (JP) 2002-12-26 US disclosed
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
EP-0311955-B1 BICYCLIC PEROXIDE F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
EP-0525516-A2 Derivatives of beta substituted cinnomic acid BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed
US-5134240-A Malaria therapy HOFFMANN-LAROCHE, INC. (US) 1992-07-28 US disclosed
US-4977184-A Bicyclic peroxides compositions for and treatment of malaria therewith HOFFMANN-LA ROCHE INC. (US) 1990-12-11 US disclosed
EP-0311955-A2 Bicyclic peroxide F. HOFFMANN-LA ROCHE AG (CH) 1989-04-19 EP disclosed
US-4788344-A Process for the preparation of polyene ethers RHONE-POULENC SANTE (FR) 1988-11-29 US disclosed
US-4760193-A Process for the preparation of polyene aldehydes RHONE-POULENC SANTE (FR) 1988-07-26 US disclosed
US-4055575-A HYDROGENATION, SAPONIFICATION SCM CORPORATION (US) 1977-10-25 US disclosed
US-4039591-A 1-ACETOXY-4-CHLORO-3-METHYLBUT-2-ENE SCM CORPORATION (US) 1977-08-02 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 (1 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-20020198411-A1 Method for oxidation of allyl alcohol ADH1A, ADH1C, ADH5 ALDH1A1 11/4885KMT2A 750/4885MEN1 3696/4885

“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.