SCHEMBL9633756

SCHEMBL9633756

CCC=CC=CCCCCCCBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
FASN P49327 1/20 0.39
TRPA1 O75762 1/20 0.35
FAAH O00519 4/20 0.34
F7 P08709 2/20 0.34
F3 P13726 2/20 0.34
MAPT P10636 2/20 0.34
CYP19A1 P11511 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
OXER1 Q8TDS5 1/20 0.34
MEN1 O00255 1/20 0.34
FFAR1 O14842 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
PLA2G1B P04054 1/20 0.34

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
SCHEMBL9633750 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1FAAH
SCHEMBL31141319 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1FAAH
SCHEMBL27211790 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1FAAH
SCHEMBL31141187 1.00 ALDH1A1 (0.40) ALDH1A1TSHRFASNTRPA1FAAH
SCHEMBL21483849 0.86 ALDH1A1 (0.50) ALDH1A1TSHRFASNFAAHF7
SCHEMBL21483999 0.86 ALDH1A1 (0.50) ALDH1A1TSHRFASNFAAHF7
SCHEMBL21483879 0.86 ALDH1A1 (0.50) ALDH1A1TSHRFASNFAAHF7
SCHEMBL21484006 0.86 ALDH1A1 (0.50) ALDH1A1TSHRFASNFAAHF7
SCHEMBL21483983 0.86 ALDH1A1 (0.50) ALDH1A1TSHRFASNFAAHF7
SCHEMBL21483947 0.86 ALDH1A1 (0.50) ALDH1A1TSHRFASNFAAHF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4365159-B1 ORGANOHALOGEN COMPOUND HAVING CONJUGATED DOUBLE BOND, PROCESS FOR PREPARING ACETATE COMPOUND AND ALCOHOL COMPOUND THEREOF, AND COMPOUND USED TO SYNTHESIZE THE ORGANOHALOGEN COMPOUND SHINETSU CHEMICAL CO (JP) 2025-12-03 EP disclosed
US-20240262943-A1 PROCESS FOR PREPARING CONJUGATED DIENE COMPOUND UTILIZING INTRAMOLECULAR SIGMATROPIC REARRANGEMENT REACTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-08-08 US disclosed
US-20240174701-A1 ORGANOHALOGEN COMPOUND HAVING CONJUGATED DOUBLE BOND, PROCESS FOR PREPARING ACETATE COMPOUND AND ALCOHOL COMPOUND THEREOF, AND COMPOUND USED TO SYNTHESIZE THE ORGANOHALOGEN COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-05-30 US disclosed
EP-4365159-A1 ORGANOHALOGEN COMPOUND HAVING CONJUGATED DOUBLE BOND, PROCESS FOR PREPARING ACETATE COMPOUND AND ALCOHOL COMPOUND THEREOF, AND COMPOUND USED TO SYNTHESIZE THE ORGANOHALOGEN COMPOUND Shin-Etsu Chemical Co., Ltd. (JP) 2024-05-08 EP disclosed
CN-117924017-A Organic halogen compound having conjugated double bond, method for preparing acetate and alcohol derivative thereof, and compound for synthesizing the compound 信越化学工业株式会社 2024-04-26 CN disclosed
EP-0241335-B1 1-SUBSTITUTED CONJUGATED ALKA-(E,Z)-DIENE COMPOUNDS AND A METHOD FOR THE PREPARATION THEREOF Shin-Etsu Chemical Co., Ltd. (JP) 1992-06-03 EP disclosed
EP-0241335-A1 1-substituted conjugated alka-(E,Z)-diene compounds and a method for the preparation thereof Shin-Etsu Chemical Co., Ltd. (JP) 1987-10-14 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 (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-20240174701-A1 ORGANOHALOGEN COMPOUND HAVING CONJUGATED DOUBLE BOND, PROCESS FOR PREPARING ACETATE COMPOUND AND ALCOHOL COMPOUND THEREOF, AND COMPOUND USED TO SYNTHESIZE THE ORGANOHALOGEN COMPOUND ADH5, ADH1C, ADH1A ALDH1A1 16/4885TSHR 911/4885FASN 466/4885

“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.