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SCHEMBL350498

SCHEMBL350498

CC1(C)CC(=O)CC(C)(C)P1c1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TYMP P19971 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ TYMS P04818 1/20 0.34
▸ DHFR P00374 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
SCHEMBL366604 0.85 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDHTT
SCHEMBL24535271 0.83 DHFR (0.35) DNMT1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL352292 0.81 MAPT (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL351208 0.78 DHFR (0.32) DNMT1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL20555073 0.74 ERN1 (0.38) DNMT1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL24535424 0.74 TDP2 (0.33) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL364834 0.71 GSTP1 (0.46) MAPTCYP1A2CYP2C19
SCHEMBL351987 0.69 CA1 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDHTT
SCHEMBL352694 0.69 L3MBTL1 (0.45) ALDH1A1KDM4EMAPTMEN1RAB9A
SCHEMBL350286 0.66 CA1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1GAA

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593226-B1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE IRELAND UNLIMITED CO (IE) 2018-11-14 — — EP claimed
EP-2593439-B1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2016-08-17 — — EP claimed
US-9381508-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2016-07-05 — — US claimed
US-20150360215-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2015-12-17 — — US claimed
US-9200021-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2015-12-01 — — US claimed
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2015-06-04 — — US claimed
US-8975443-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2015-03-10 — — US claimed
US-8895737-B2 Process for preparing antiviral compounds ABBVIE INC. 2014-11-25 — — US claimed
US-8841487-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2014-09-23 — — US claimed
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2013-08-22 — — US claimed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 — — US claimed
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — US claimed
WO-2022132048-A1 PHOSPHORUS COMPOUNDS AND METHODS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-06-23 — — WO disclosed
EP-3461556-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS AbbVie Ireland Unlimited Company (IE) 2019-04-03 — — EP disclosed
EP-3461556-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS AbbVie Ireland Unlimited Company (IE) 2019-04-03 — — EP disclosed
EP-3415504-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2018-12-19 — — EP disclosed
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — US disclosed
WO-2012009699-A2 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — WO disclosed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 — — WO disclosed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 — — WO 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 (5 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-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 DNMT1 550/4885ALDH1A1 4611/4885KDM4E 3762/4885
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 DNMT1 550/4885ALDH1A1 4611/4885KDM4E 3762/4885
US-20150360215-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 DNMT1 550/4885ALDH1A1 4611/4885KDM4E 3762/4885
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, MAVS, RNASE1 DNMT1 3473/4885ALDH1A1 2059/4885KDM4E 3572/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA DNMT1 768/4885ALDH1A1 4364/4885KDM4E 3814/4885

“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.