SCHEMBL635987

SCHEMBL635987

Cc1cc(P(c2cc(C)c(N(C)C)c(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)c(N(C)C)c(C)c3)c3cc(C)c(N(C)C)c(C)c3)ccc3ccccc23)cc(C)c1N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.37
CYP1A2 P05177 5/20 0.37
TSHR P16473 4/20 0.37
ALDH1A1 P00352 7/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 4/20 0.34
HIF1A Q16665 2/20 0.32
CYP1B1 Q16678 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCL1 Q07820 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 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
Hydrochloric Acid SCHEMBL635451 0.94 CYP1A2 (0.33) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL636477 0.94 CYP1A2 (0.33) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
Perchlorate SCHEMBL637512 0.88 HK1 (0.30)
SCHEMBL636039 0.86 NCEH1 (0.33) ALDH1A1HPGDMAPTNCEH1
SCHEMBL635100 0.83 ATM (0.35) CYP1A2ALDH1A1HPGDMAPTKMT2A
SCHEMBL635352 0.83 SIGMAR1 (0.32) MAPTNCEH1
SCHEMBL29378690 0.82 CYP2A6 (0.41) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL29122 0.82 CYP2A6 (0.41) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL31462816 0.82 CYP2A6 (0.41) CYP2A6CYP1A2TSHRALDH1A1HSD17B10
SCHEMBL28433701 0.81 CYP2A6 (0.40) CYP2A6CYP1A2TSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP claimed
EP-1927596-B1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-08-01 EP claimed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP claimed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US claimed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 EP claimed
US-12129249-B2 Method for producing optically active compound DAY ONE BIOPHARMACEUTICALS, INC. (US) 2024-10-29 US disclosed
EP-4406609-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Day One Biopharmaceuticals, Inc. (US) 2024-07-31 EP disclosed
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2021-11-11 US disclosed
US-10988469-B2 Method for producing optically active compound DOT THERAPEUTICS-1, INC. (US) 2021-04-27 US disclosed
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2020-10-08 US disclosed
US-10710989-B2 Method for producing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-14 US disclosed
EP-3632441-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Millennium Pharmaceuticals, Inc. (US) 2020-04-08 EP disclosed
EP-1927596-B1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-08-01 EP disclosed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 EP disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 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 (6 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-10988469-B2 Method for producing optically active compound DHPS, QDPR, SPR CYP2A6 774/4885CYP1A2 1113/4885TSHR 3464/4885
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR CYP2A6 774/4885CYP1A2 1113/4885TSHR 3464/4885
US-12129249-B2 Method for producing optically active compound DHPS, QDPR, SPR CYP2A6 774/4885CYP1A2 1113/4885TSHR 3464/4885
US-10710989-B2 Method for producing heterocyclic compound APP, THOP1, TALDO1 CYP2A6 1338/4885CYP1A2 1870/4885TSHR 3665/4885
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same MVD, C5, C1S CYP2A6 74/4885CYP1A2 45/4885TSHR 1507/4885
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR CYP2A6 774/4885CYP1A2 1113/4885TSHR 3464/4885

“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.