SCHEMBL6788941

SCHEMBL6788941

CCCCOC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.66
TSHR P16473 4/20 0.66
LMNA P02545 3/20 0.66
CYP1A2 P05177 3/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2D6 P10635 2/20 0.66
MAPK1 P28482 1/20 0.66
NR1H2 P55055 1/20 0.66
RNASEL Q05823 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 1/20 0.64
PDE4D Q08499 1/20 0.64
HPGD P15428 1/20 0.57
RECQL P46063 1/20 0.57
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
STS P08842 7/20 0.56

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
SCHEMBL5030836 0.95 ESR1 (0.60) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL31575839 0.95 ALDH1A1 (0.63) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL14107670 0.90 ALDH1A1 (0.64) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL10869670 0.89 STS (0.54) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL37476 0.86 ESR1 (0.85) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL17308747 0.86 CA1 (0.55) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL14930440 0.86 KMT2A (0.51) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL12251325 0.85 ESR1 (0.68) ESR1TSHRLMNACYP1A2CYP2C19
Hydrogen Peroxide SCHEMBL28645617 0.84 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL27647431 0.84 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 CN disclosed
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 CN disclosed
US-6784295-B2 CARRIED OUT IN THE PRESENCE OF AN INORGANIC BASE OR ORGANIC NITROGEN BASE AND A PALLADIUM COMPLEX CATALYST CONTAINING SECONDARY MONOPHOSPHINES WITH ALIPHATIC, BRANCHED OR CYCLIC SUBSTITUENTS AS LIGANDS SOLVIAS AG (CH) 2004-08-31 US disclosed
US-20030181688-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds INDOLESE ADRIANO (CH) 2003-09-25 US disclosed
EP-1132361-B1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2003-05-14 EP disclosed
US-6548684-B2 Using monophosphine palladium complex catalyst SOLVIAS AG (SE) 2003-04-15 US disclosed
US-20010037042-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2001-11-01 US disclosed
EP-1132361-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds Solvias AG (CH) 2001-09-12 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-20010037042-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds ADH1C, ALKBH3, PNMT ESR1 2283/4885TSHR 4506/4885LMNA 485/4885
US-20030181688-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds ADH1C, ALKBH3, PNMT ESR1 2283/4885TSHR 4506/4885LMNA 485/4885

“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.