SCHEMBL2809911

SCHEMBL2809911

C=CCN(CC=C)CC=C(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL431734 0.86 KDM4E (0.40) TSHRKDM4EALOX15ALDH1A1
Acrylamide SCHEMBL3822742 0.85 ALDH1A1 (0.42) TSHRKDM4EALDH1A1
SCHEMBL9461327 0.81 KDM4E (0.59) TSHRKDM4EALOX15ALDH1A1
SCHEMBL9461328 0.81 KDM4E (0.59) TSHRKDM4EALOX15ALDH1A1
SCHEMBL11880753 0.80 KMT2A (0.57) KDM4EALOX15ALDH1A1
SCHEMBL11880747 0.80 KMT2A (0.57) KDM4EALOX15ALDH1A1
Methyl Alcohol SCHEMBL28949472 0.77 ALDH1A1 (0.35) TSHRKDM4EALDH1A1
SCHEMBL18808379 0.77 PYCR1 (0.35) TSHRALOX15
SCHEMBL20656 0.76 TSHR (0.43) TSHRKDM4EALDH1A1
SCHEMBL7549527 0.76 TSHR (0.43) TSHRKDM4EALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202497-A Catalytic oxidation of allylic tertiary amines RHONE-POULENC NUTRITION ANIMALE (FR) 1993-04-13 US claimed
JP-58177943-A None JP disclosed
EP-1142859-B2 Process for producing optically active 3,7-dimethyl-6-octenol and process for producing intermediate therefore TAKASAGO PERFUMERY CO LTD (JP) 2010-04-28 EP disclosed
EP-1142859-B1 Process for producing optically active 3,7-dimethyl-6-octenol and process for producing intermediate therefore TAKASAGO PERFUMERY CO LTD (JP) 2006-12-13 EP disclosed
US-6489522-B2 ORGANOLEPTIC; FROM ALKYLAMINE AND ISOPRENE; CATALYTIC ISOMERIZATION, HEATING TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-12-03 US disclosed
US-6486353-B2 SUBJECTING MIXTURE OF ALKYLAMINE AND ISOPRENE TO TELOMERIZATION AT 80-100 DEGREES C.IN THE PRESENCE OF AN ALKYLLITHIUM AND/OR PHENYLLITHIUM CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-11-26 US disclosed
US-20020128525-A1 Process for producing optically active 3,7-dimethyl-6-octenol and process for producing intermediate therefor TAKASAGO INTERNATIONAL CORPORATION 2002-09-12 US disclosed
US-20020004620-A1 Process for producing optically active 3, 7-dimethyl-6-octenol and process for producing intermediate therefor TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-10 US disclosed
EP-1142859-A2 Process for producing optically active 3,7-dimethyl-6-octenol and process for producing intermediate therefor Takasago International Corporation (JP) 2001-10-10 EP disclosed
US-5202497-A Catalytic oxidation of allylic tertiary amines RHONE-POULENC NUTRITION ANIMALE (FR) 1993-04-13 US disclosed
JP-S58177943-A PREPARATION OF DIALKYLFARNESYLAMINE TAKASAGO CORP 1983-10-18 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 (2 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-20020128525-A1 Process for producing optically active 3,7-dimethyl-6-octenol and process for producing intermediate therefor NOTUM, CYP51A1, SOAT2 TSHR 2910/4885KDM4E 1835/4885ALOX15 219/4885
US-20020004620-A1 Process for producing optically active 3, 7-dimethyl-6-octenol and process for producing intermediate therefor NOTUM, CYP51A1, SOAT1 TSHR 3026/4885KDM4E 1921/4885ALOX15 245/4885

“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.