SCHEMBL2882999

SCHEMBL2882999

CC(C)(C)c1[c]c(-c2[c]c(C(C)(C)C)cc3ccccc23)c2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP1B1 Q16678 2/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 4/20 0.36
CYP2A6 P11509 3/20 0.36
HPGD P15428 3/20 0.36
GPR84 Q9NQS5 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
HTR2A P28223 1/20 0.32
NQO2 P16083 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7950716 0.88 ALDH1A1 (0.33) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL9460795 0.82 CYP1A2 (0.39) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL6161512 0.82 NPC1 (0.33) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL3559261 0.81 ALDH1A1 (0.34) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL6163116 0.77 NR1I2 (0.40) ALDH1A1HSD17B10CYP1A2HPGDGAA
SCHEMBL7951415 0.73 CA2 (0.38) ALDH1A1TSHRTDP1KIF11
SCHEMBL2885158 0.72 CYP1A2 (0.45) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL6171086 0.72 KIF11 (0.40) KIF11
SCHEMBL5305428 0.69 CYP1A2 (0.37) ALDH1A1HSD17B10HIF1ACYP1A2HPGD
SCHEMBL21812138 0.68 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847126-B2 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2010-12-07 US disclosed
US-20070299273-A1 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
US-7230136-B2 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2007-06-12 US disclosed
EP-1312598-B1 Process for producing aldehyde MITSUBISHI CHEM CORP (JP) 2005-02-16 EP disclosed
EP-1008581-B1 Process for producing aldehyde MITSUBISHI CHEM CORP (JP) 2004-04-21 EP disclosed
US-20030229240-A1 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2003-12-11 US disclosed
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 EP disclosed
US-6610891-B1 Reduces degradation or decomposition of catalyst MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-26 US disclosed
US-6583324-B2 By hydroformylation with rhodium complex catalyst containing an organic phosphite ligand; preventing catalyst poisoning by having the aldehyde remain in the catalyst solution in the separation step MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-24 US disclosed
EP-1312598-A1 Process for producing aldehyde MITSUBISHI CHEMICAL CORPORATION (JP) 2003-05-21 EP disclosed
US-20020049355-A1 Process for producing aldehyde MITSUBISHI CHEMICAL CORPORATION (JP) 2002-04-25 US disclosed
US-6291717-B1 REACTING OLEFINIC COMPOUND WITH CARBON MONOXIDE AND HYDROGEN IN THE PRESENCE OF A RHODIUM COMPLEX CATALYST COMPRISING RHODIUM AND ORGANIC PHOSPHITE IN REACTION ZONE; SEPARATING CATALYST AND ALDEHYDE; RECYCLING CATALYST SOLUTION MITSUBISHI CHEMICAL CORPORATION (JP) 2001-09-18 US disclosed
US-6265620-B1 REACTING OLEFINIC COMPOUND WITH CARBON MONOXIDE AND HYDROGEN IN PRESENCE OF CATALYST CONTAINING METAL OF GROUP 8 TO 10 AND TRIVALENT ORANIC PHOSPHORUS COMPOUND TO PRODUCE ALDEHYDE MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-24 US disclosed
EP-1008581-A1 Process for producing aldehyde MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-14 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-20020049355-A1 Process for producing aldehyde ALDH2, OGDH, HAO2 ALDH1A1 16/4885HSD17B10 239/4885CYP1B1 1531/4885

“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.