SCHEMBL492094

SCHEMBL492094

c1ccc(P(CCP(c2ccccc2)c2ccccn2)c2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
GAA P10253 1/20 0.61
LMNA P02545 2/20 0.36
P4HTM Q9NXG6 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
DOHH Q9BU89 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
FABP1 P07148 1/20 0.33
FABP6 P51161 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL492416 0.98 KDM4E (0.59) KDM4EGAALMNAP4HTMCYP1A2
SCHEMBL9335762 0.92 KDM4E (0.57) KDM4EGAALMNAP4HTMCYP1A2
SCHEMBL9443662 0.89 KDM4E (0.53) KDM4EGAALMNAP4HTMCYP1A2
SCHEMBL9336005 0.88 KDM4E (0.61) KDM4EGAALMNAP4HTMCYP1A2
SCHEMBL9335848 0.87 KDM4E (0.52) KDM4EGAALMNAP4HTMCYP1A2
SCHEMBL3115391 0.87 KDM4E (0.52) KDM4EGAALMNAP4HTMCYP1A2
SCHEMBL9335722 0.86 KDM4E (0.50) KDM4EGAALMNACYP1A2KMT2A
SCHEMBL27508916 0.84 KDM4E (0.57) KDM4EGAALMNAP4HTMCYP1A2
SCHEMBL27594860 0.84 KDM4E (0.57) KDM4EGAALMNAP4HTMCYP1A2
SCHEMBL10343487 0.81 KDM4E (0.47) KDM4EGAALMNAP4HTMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305012-A2 Catalytic compositions for the polymerization of carbon monoxide with an olefin SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-03-01 EP claimed
EP-1876182-B1 PHOSPHINE TRANSITION METAL COMPLEX, PROCESS FOR PRODUCING THE SAME AND ANTICANCER DRUG CONTAINING THE SAME NIPPON CHEMICAL IND (JP) 2012-12-19 EP disclosed
US-8106186-B2 Transition metal phosphine complex, method for producing same, and anticancer agent containing transition metal phospine complex NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20090076267-A1 TRANSITION METAL PHOSPHINE COMPLEX, METHOD FOR PRODUCING SAME, AND ANTICANCER AGENT CONTAINING TRANSITION METAL PHOSPINE COMPLEX NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2009-03-19 US disclosed
EP-1876182-A1 PHOSPHINE TRANSITION METAL COMPLEX, PROCESS FOR PRODUCING THE SAME AND ANTICANCER DRUG CONTAINING THE SAME Nippon Chemical Industrial Co., Ltd. (JP) 2008-01-09 EP disclosed
EP-0441447-B1 Carbonylation catalyst process SHELL INT RESEARCH (NL) 1994-11-30 EP disclosed
EP-0441446-B1 Carbonylation catalyst system SHELL INT RESEARCH (NL) 1994-05-04 EP disclosed
US-5177253-A Process for the preparation of alpha,beta-olefinically unsaturated compounds SHELL OIL COMPANY (US) 1993-01-05 US disclosed
EP-0441447-A1 Carbonylation catalyst process SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-14 EP disclosed
EP-0441446-A1 Carbonylation catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-14 EP disclosed
US-4960747-A Catalyst composition containing diphosphines having heterocyclic substituents SHELL OIL COMPANY (US) 1990-10-02 US disclosed
US-4880902-A Copolymerization of carbon monoxide and olefin with diphosphine having heterocyclic substituents as catalyst SHELL OIL COMPANY (US) 1989-11-14 US disclosed
EP-0305012-A2 Catalytic compositions for the polymerization of carbon monoxide with an olefin SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-03-01 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-20090076267-A1 TRANSITION METAL PHOSPHINE COMPLEX, METHOD FOR PRODUCING SAME, AND ANTICANCER AGENT CONTAINING TRANSITION METAL PHOSPINE COMPLEX CDKL1, MASTL, AARS1 KDM4E 3657/4885GAA 2569/4885LMNA 4443/4885

“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.