SCHEMBL1618947

SCHEMBL1618947

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.56
CYP3A4 P08684 2/20 0.56
ALOX15 P16050 2/20 0.56
NR1I2 O75469 1/20 0.55
LMNA P02545 1/20 0.55
PGR P06401 1/20 0.55
MAPT P10636 2/20 0.54
UGT1A1 P22309 1/20 0.54
SQLE Q14534 6/20 0.52
KDM4E B2RXH2 2/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.48

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
SCHEMBL25396940 1.00 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL1618949 1.00 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL28575170 0.82 NR1I2 (0.76) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL794095 0.81 KMT2A (0.70) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL2987781 0.81 KMT2A (0.70) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL1276617 0.81 KMT2A (0.70) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL6559820 0.81 NR1I2 (0.62) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL10711405 0.80 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL10707285 0.80 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL10422679 0.79 NR1I2 (0.60) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090180972-A1 COMPOSITIONS OF OXO-TERPENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-07-16 US claimed
EP-1417896-B1 Fruit, berry, cranberry and hedonically-stable citrus flavored compositions and process for preparing same INT FLAVORS & FRAGRANCES INC (US) 2008-08-13 EP claimed
US-20040091595-A1 Fruit, berry, cranberry and hedonically-stable citrus flavored compositions and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. 2004-05-13 US claimed
EP-1417896-A1 Fruit, berry, cranberry and hedonically-stable citrus flavored compositions and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2004-05-12 EP claimed
WO-2012105430-A1 PERFUME COMPOSITION 小川香料株式会社 (JP) 2012-08-09 WO disclosed
US-8007839-B2 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INTERNATIONAL FLAVORS & FRAGRANCES (US) 2011-08-30 US disclosed
US-7927643-B2 Compositions of oxo-terpene derivatives and process for preparing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-19 US disclosed
US-7923049-B2 Compositions of oxo-terpene derivatives and process for preparing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-12 US disclosed
EP-1920042-B1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL AG & CO KGAA (DE) 2010-06-23 EP disclosed
US-20090180973-A1 COMPOSITIONS OF OXO-TERPENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-07-16 US disclosed
US-20090180972-A1 COMPOSITIONS OF OXO-TERPENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-07-16 US disclosed
US-7534460-B2 Compositions of oxo-terpene derivatives and process for preparing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-05-19 US disclosed
WO-2007028480-A1 PARTICLES CONTAINING ZEOLITE AND PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
US-7097872-B2 Fruit, berry, cranberry and hedonically-stable citrus flavored compositions and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2006-08-29 US disclosed
US-20050074533-A1 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. 2005-04-07 US disclosed
US-20040091595-A1 Fruit, berry, cranberry and hedonically-stable citrus flavored compositions and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. 2004-05-13 US disclosed
EP-1417896-A1 Fruit, berry, cranberry and hedonically-stable citrus flavored compositions and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2004-05-12 EP disclosed
EP-0220652-B1 Method for manufacturing phase gratings of a combination pattern-refraction modification type KURARAY CO (JP) 1994-02-02 EP disclosed
US-4777116-A RADIATION OF A MASKED THIN FILM OF A (METH)ACRYLATE POLYMER AND REACTIVE AROMATIC ALDEHYDE AND KETONE KURARAY CO., LTD. (JP) 1988-10-11 US disclosed
EP-0220652-A2 Method for manufacturing phase gratings of a combination pattern-refraction modification type Kuraray Co., Ltd. (JP) 1987-05-06 EP 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-20090180973-A1 COMPOSITIONS OF OXO-TERPENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME OXER1, ALKBH3, ALKBH1 ALDH1A1 1048/4885KMT2A 3092/4885MEN1 980/4885
US-20090180972-A1 COMPOSITIONS OF OXO-TERPENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME OXER1, ALKBH3, ALKBH1 ALDH1A1 1048/4885KMT2A 3092/4885MEN1 980/4885

“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.