SCHEMBL7053944

SCHEMBL7053944

O=C(OCCc1ccccc1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
AKR1B10 O60218 2/20 0.50
AKR1B1 P15121 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CES1 P23141 5/20 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
SCHEMBL16836956 0.89 LMNA (0.62) TDP1NPC1RAB9AAKR1B10AKR1B1
SCHEMBL19105206 0.86 HCAR2 (0.50) HCAR2TDP1ESR1ESR2NPC1
SCHEMBL13842677 0.86 HCAR2 (0.50) HCAR2TDP1ESR1ESR2NPC1
SCHEMBL12128696 0.86 HCAR2 (0.50) HCAR2TDP1ESR1ESR2NPC1
SCHEMBL24142153 0.84 HCAR2 (0.49) HCAR2TDP1ESR1ESR2NPC1
SCHEMBL4622054 0.84 CA1 (0.46) ALDH1A1HPGDLMNAFFAR1
SCHEMBL19105233 0.83 HCAR2 (0.47) HCAR2TDP1ESR1ESR2NPC1
SCHEMBL16672605 0.83 HCAR2 (0.47) HCAR2TDP1ESR1ESR2NPC1
SCHEMBL2605928 0.82 HCAR2 (0.46) HCAR2TDP1ESR1ESR2NPC1
SCHEMBL290872 0.81 HCAR2 (0.53) HCAR2TDP1ESR1ESR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221208-B2 Methods of producing an HIV maturation inhibitor ViiV Healthcare UK (No.4) Limited (GB) 2019-03-05 US disclosed
EP-0866798-B1 PREPARATION OF ESTER DERIVATIVES OF STEROIDS POPULATION COUNCIL INC (US) 2003-05-14 EP disclosed
EP-0866798-A4 PREPARATION OF ESTER DERIVATIVES OF STEROIDS POPULATION COUNCIL INC (US) 1998-12-02 EP disclosed
EP-0866798-A1 PREPARATION OF ESTER DERIVATIVES OF STEROIDS THE POPULATION COUNCIL, INC. (US) 1998-09-30 EP disclosed
US-5723489-A ADRENERGIC BLOCKING AGENTS OR STIMULANTS FOR GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-03-03 US disclosed
US-5710293-A ACYLATION OF A NORPROGESTERONE WITH ANHYDRIDE OR ACYL HALIDE, CATALYZED BY PERCHLORIC ACID THE POPULATION COUNCIL, CENTER FOR BIOMEDICAL RESEARCH (US) 1998-01-20 US disclosed
WO-1997013779-A1 PREPARATION OF ESTER DERIVATIVES OF STEROIDS THE POPULATION COUNCIL, INC. (US) 1997-04-17 WO disclosed
US-3954888-A Process for the preparation of 2-phenyl-ethanol RHONE-POULENC TEXTILE (FR) 1976-05-04 US disclosed
US-3954888-A Process for the preparation of 2-phenyl-ethanol RHONE-POULENC TEXTILE (FR) 1976-05-04 US 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-10221208-B2 Methods of producing an HIV maturation inhibitor TMBIM6, MCL1, FURIN HCAR2 4470/4885TDP1 3277/4885ESR1 3789/4885

“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.