SCHEMBL9017121

SCHEMBL9017121

CC(C)=CCCC(C)=CCCC(C)=CCS(=O)(=O)CC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MAPT P10636 3/20 0.57
MEN1 O00255 3/20 0.57
CYP3A4 P08684 2/20 0.57
ALOX15 P16050 2/20 0.57
ALDH1A1 P00352 2/20 0.57
UGT1A1 P22309 1/20 0.57
FNTA P49354 2/20 0.56
FNTB P49356 2/20 0.56
SQLE Q14534 5/20 0.55
KDM4E B2RXH2 1/20 0.52
TRPA1 O75762 1/20 0.51
GGPS1 O95749 1/20 0.49

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
SCHEMBL10986149 1.00 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL16654337 0.98 KMT2A (0.60) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1685900 0.98 KMT2A (0.60) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1685901 0.98 KMT2A (0.60) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL331561 0.84 KMT2A (0.59) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL331563 0.84 KMT2A (0.59) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL794675 0.83 KMT2A (0.58) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL794674 0.83 KMT2A (0.58) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11787183 0.83 KMT2A (0.44) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11787182 0.83 KMT2A (0.44) KMT2AMAPTMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365169-B2 Method for synthesising vitamin A ADISSEO FRANCE S.A.S. (FR) 2022-06-21 US claimed
US-20210309597-A1 METHOD FOR SYNTHESISING VITAMIN A ADISSEO FRANCE S.A.S. (FR) 2021-10-07 US claimed
EP-3841088-A1 METHOD FOR VITAMIN A SYNTHESIS Adisseo France S.A.S. (FR) 2021-06-30 EP claimed
WO-2020038858-A1 METHOD FOR VITAMIN A SYNTHESIS ADISSEO FRANCE S.A.S. (FR) 2020-02-27 WO claimed
US-11365169-B2 Method for synthesising vitamin A ADISSEO FRANCE S.A.S. (FR) 2022-06-21 US disclosed
US-20210309597-A1 METHOD FOR SYNTHESISING VITAMIN A ADISSEO FRANCE S.A.S. (FR) 2021-10-07 US disclosed
EP-3841088-A1 METHOD FOR VITAMIN A SYNTHESIS Adisseo France S.A.S. (FR) 2021-06-30 EP disclosed
WO-2020038858-A1 METHOD FOR VITAMIN A SYNTHESIS ADISSEO FRANCE S.A.S. (FR) 2020-02-27 WO disclosed
EP-0414106-B1 Process for the preparation of terpenes EISAI CO LTD (JP) 1996-03-27 EP disclosed
CN-1026579-C Process for prepn. of terpenes EISAI CO LTD (JP) 1994-11-16 CN disclosed
US-5073659-A Alkylation, Grignard reagent, zinc chloride catalyst and coppe r compound EISAI CO., LTD. (JP) 1991-12-17 US disclosed
EP-0414106-A2 Process for the preparation of terpenes Eisai Co., Ltd. (JP) 1991-02-27 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-20210309597-A1 METHOD FOR SYNTHESISING VITAMIN A CYP2R1, NR1H3, NR1H2 KMT2A 1599/4885MAPT 4659/4885MEN1 3743/4885
US-11365169-B2 Method for synthesising vitamin A CYP2R1, NR1H3, NR1H2 KMT2A 1487/4885MAPT 4773/4885MEN1 3469/4885

“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.