SCHEMBL1716636

SCHEMBL1716636

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

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.81
SQLE Q14534 8/20 0.68
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
CYP3A4 P08684 2/20 0.64
ALOX15 P16050 2/20 0.64
ALDH1A1 P00352 1/20 0.64
UGT1A1 P22309 1/20 0.64
KDM4E B2RXH2 1/20 0.57
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52

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
SCHEMBL1716635 1.00 KMT2A (0.81) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL4663416 1.00 KMT2A (0.81) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL4663420 1.00 KMT2A (0.81) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL19327214 1.00 KMT2A (0.81) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL23802597 0.90 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL21823197 0.90 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL21639794 0.90 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL8819997 0.90 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL890053 0.90 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL8013144 0.90 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047312-A Absorption in near infrared, laser light BASF AKTIENGESELLSCHAFT (DE) 1991-09-10 US claimed
US-20220403289-A1 ALPHA-HYDROXYISOBUTYRIC ACID ESTER COMPOUND AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-12-22 US disclosed
CN-114867829-A Alpha-hydroxyisobutyrate compound and perfume composition 三菱瓦斯化学株式会社 2022-08-05 CN disclosed
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-11-11 US disclosed
WO-2021132214-A1 α-HYDROXYISOBUTYRIC ACID ESTER COMPOUND AND FRAGRANCE COMPOSITION 三菱瓦斯化学株式会社 2021-07-01 WO disclosed
EP-3572518-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE Takasago International Corporation (JP) 2019-11-27 EP disclosed
US-20190338216-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-11-07 US disclosed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP disclosed
EP-2145042-A1 TEXTILE SCENTING Henkel AG & Co. KGaA (DE) 2010-01-20 EP disclosed
WO-2008135306-A1 TEXTILE SCENTING HENKEL AG & CO. KGAA (DE) 2008-11-13 WO disclosed
EP-0666474-A1 Use of infrared absorbing and fluorescent compositions for flaw detection BASF AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
EP-0656929-A1 USE OF COMPOUNDS WHICH ABSORB AND/OR FLUORESCE IN THE I/R RANGE AS MARKERS FOR LIQUIDS. BASF AG (DE) 1995-06-14 EP disclosed
WO-1995007460-A1 METHOD OF DETECTING NAPHTHYLAMINES IN MINERAL OILS BASF AKTIENGESELLSCHAFT (DE) 1995-03-16 WO disclosed
EP-0626992-A1 METAL SALTS AS MARKING AGENTS FOR COMBUSTIBLE BITUMEN. BASF ITALIA (IT) 1994-12-07 EP disclosed
WO-1994011466-A1 ANILINES AS MARKING AGENTS FOR MINERAL OILS BASF AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1994002570-A1 USE OF COMPOUNDS WHICH ABSORB AND/OR FLUORESCE IN THE I/R RANGE AS MARKERS FOR LIQUIDS BASF AKTIENGESELLSCHAFT (DE) 1994-02-03 WO disclosed
EP-0358080-B1 Silicon naphthalocyanine with unsaturated ligands, and optical recording medium BASF AG (DE) 1993-12-01 EP disclosed
WO-1993016149-A1 METAL SALTS AS MARKING AGENTS FOR COMBUSTIBLE BITUMEN BASF ITALIA S.P.A. (IT) 1993-08-19 WO disclosed
US-5047312-A Absorption in near infrared, laser light BASF AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
EP-0358080-A2 Silicon naphthalocyanine with unsaturated ligands, and optical recording medium BASF Aktiengesellschaft (DE) 1990-03-14 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 (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-20220403289-A1 ALPHA-HYDROXYISOBUTYRIC ACID ESTER COMPOUND AND FRAGRANCE COMPOSITION CYP8B1, HCAR1, GABRB1 KMT2A 2989/4885SQLE 425/4885MAPT 2615/4885
US-20190338216-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE APEH, AKR1C3, AKR7A2 KMT2A 2813/4885SQLE 967/4885MAPT 4747/4885
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE APEH, AKR7A2, FAAH2 KMT2A 3465/4885SQLE 900/4885MAPT 4751/4885

“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.