SCHEMBL6932099

SCHEMBL6932099

O=C(C=[PH3])OCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
MAPK1 P28482 1/20 0.38
KIF11 P52732 6/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNN4 O15554 1/20 0.35
CYP2C19 P33261 1/20 0.35
HCAR2 Q8TDS4 2/20 0.35
CYP1A2 P05177 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL26653428 0.82 HIF1A (0.38) HIF1AMAPK1KIF11ALDH1A1TSHR
SCHEMBL5846764 0.79 HIF1A (0.44) HIF1AMAPK1KIF11ALDH1A1TSHR
SCHEMBL9189254 0.76 ALDH1A1 (0.52) HIF1AMAPK1KIF11ALDH1A1KCNN4
SCHEMBL9601801 0.76 HIF1A (0.41) HIF1AMAPK1KIF11ALDH1A1TSHR
SCHEMBL7565230 0.73 HIF1A (0.39) HIF1AMAPK1KIF11ALDH1A1KCNN4
SCHEMBL9516007 0.72 HCAR2 (0.65) MAPK1ALDH1A1HCAR2LMNAPOLB
Hydrochloric Acid SCHEMBL3839261 0.71 KIF11 (0.41) HIF1AMAPK1KIF11KCNN4CYP2C19
SCHEMBL22411320 0.71 KCNN4 (0.39) HIF1AMAPK1KIF11ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1249575 0.71 HIF1A (0.38) HIF1AMAPK1KIF11ALDH1A1NPSR1
SCHEMBL10664452 0.71 KIF11 (0.50) HIF1AMAPK1KIF11ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3645548-B1 METHODS FOR PREPARING BILE ACIDS MEDYTOX INC (KR) 2023-11-29 EP disclosed
US-20220009957-A1 Methods for Preparing Bile Acids MEDYTOX INC. (KR) 2022-01-13 US disclosed
US-11161872-B2 Methods for preparing bile acids MEDYTOX INC. (KR) 2021-11-02 US disclosed
US-20200369712-A1 METHODS FOR PREPARING BILE ACIDS WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2020-11-26 US disclosed
EP-3645548-A1 METHODS FOR PREPARING BILE ACIDS Medytox Inc. (KR) 2020-05-06 EP disclosed
WO-2019024920-A1 METHODS FOR PREPARING BILE ACIDS MEDYTOX INC. (KR) 2019-02-07 WO disclosed
EP-1363869-B1 PROCESS FOR THE PREPARATION OF ALKYL BENZOYLACRYLATES WEYLCHEM LAMOTTE (FR) 2015-04-08 EP disclosed
EP-1363869-A2 PROCESS FOR THE PREPARATION OF ALKYL BENZOYLACRYLATES Clariant (France) S.A. (FR) 2003-11-26 EP disclosed
WO-2002067847-A2 PROCESS FOR THE PREPARATION OF ALKYL BENZOYLACRYLATES CLARIANT (FRANCE) (FR) 2002-09-06 WO disclosed
EP-0665224-A1 PYRIMIDINE DERIVATIVE NIPPON SODA CO., LTD. (JP) 1995-08-02 EP disclosed
US-4021479-A ANTIPHLOGISTICS AND ANTIPROLIFERATIVES BOEHRINGER INGELHEIM GMBH (DT) 1977-05-03 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 (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-20220009957-A1 Methods for Preparing Bile Acids DHCR7, CYP46A1, CYP27A1 HIF1A 4682/4885MAPK1 2189/4885KIF11 961/4885
US-20200369712-A1 METHODS FOR PREPARING BILE ACIDS DHCR7, CYP46A1, CYP27A1 HIF1A 4682/4885MAPK1 2189/4885KIF11 961/4885
US-11161872-B2 Methods for preparing bile acids DHCR7, CYP46A1, CYP27A1 HIF1A 4682/4885MAPK1 2189/4885KIF11 961/4885

“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.