SCHEMBL997888

SCHEMBL997888

O=C1C2C=CC1c1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ANPEP P15144 2/20 0.33
USP2 O75604 1/20 0.32
CDC25B P30305 1/20 0.32
RECQL P46063 2/20 0.31
EDNRA P25101 2/20 0.31
EDNRB P24530 1/20 0.31
S100A4 P26447 2/20 0.31
POLB P06746 2/20 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
SCHEMBL30353880 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1TP53KDM4E
SCHEMBL8069320 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1TP53KDM4E
SCHEMBL12855365 0.76 ALDH1A1 (0.37) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL12854954 0.76 ALDH1A1 (0.37) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL14682268 0.73 ALDH1A1 (0.34) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL14616986 0.69 MEN1 (0.55) MEN1KMT2AALDH1A1TP53KDM4E
SCHEMBL12550536 0.69 MEN1 (0.55) MEN1KMT2AALDH1A1TP53KDM4E
SCHEMBL14642821 0.69
SCHEMBL14642927 0.67
SCHEMBL4601117 0.65 POLB (0.33) MEN1KMT2APOLBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783519-B2 Palladium/silver co-catalyzed tandem reactions synthesis of phenylacetophenone derivatives by oxabenzonorbornadienes with terminal alkynes and their anti-tumor or anti-cancer activities HONG KONG BAPTIST UNIVERSITY (HK) 2017-10-10 US claimed
US-20160368890-A1 PALLADIUM/SILVER CO-CATALYZED TANDEM REACTIONS SYNTHESIS OF PHENYLACETOPHENONE DERIVATIVES BY OXABENZONORBORNADIENES WITH TERMINAL ALKYNES AND THEIR ANTI-TUMOR OR ANTI-CANCER ACTIVITIES HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-22 US claimed
US-9783519-B2 Palladium/silver co-catalyzed tandem reactions synthesis of phenylacetophenone derivatives by oxabenzonorbornadienes with terminal alkynes and their anti-tumor or anti-cancer activities HONG KONG BAPTIST UNIVERSITY (HK) 2017-10-10 US disclosed
US-20160368890-A1 PALLADIUM/SILVER CO-CATALYZED TANDEM REACTIONS SYNTHESIS OF PHENYLACETOPHENONE DERIVATIVES BY OXABENZONORBORNADIENES WITH TERMINAL ALKYNES AND THEIR ANTI-TUMOR OR ANTI-CANCER ACTIVITIES HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-22 US disclosed
US-8835658-B2 Asymmetric synthesis of norcantharidin analougus by alkynylation of oxabenzonorbornadienes and their anticancer activities HONG KONG BAPTIST UNIVERSITY (HK) 2014-09-16 US disclosed
US-20140187801-A1 ASYMETRIC SYNTHESIS OF NORCANTHARIDIN ANALOUGUS BY ALKYNYLATION OF OXABENZONORBORNADIENES AND THEIR ANTICANCER ACTIVITIES YUNNAN UNIVERSITY OF NATIONALITIES (CN) 2014-07-03 US disclosed
US-20110004005-A1 RHODIUM-PHOSPHORUS COMPLEXES AND THEIR USE IN RING OPENING REACTIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-01-06 US disclosed
EP-2231570-A1 RHODIUM-PHOSPHORUS COMPLEXES AND THEIR USE IN RING OPENING REACTIONS Laboratorios del Dr. Esteve S.A. (ES) 2010-09-29 EP disclosed
EP-2231569-A1 MICROWAVE-ASSISTED RING OPENING REACTION Laboratorios del Dr. Esteve S.A. (ES) 2010-09-29 EP disclosed
WO-2009074496-A1 RHODIUM-PHOSPHORUS COMPLEXES AND THEIR USE IN RING OPENING REACTIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-18 WO disclosed
WO-2009074497-A1 MICROWAVE-ASSISTED RING OPENING REACTION LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-18 WO disclosed
EP-2070903-A1 Microwave-assisted ring opening reaction Laboratorios del Dr. Esteve S.A. (ES) 2009-06-17 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 (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-20140187801-A1 ASYMETRIC SYNTHESIS OF NORCANTHARIDIN ANALOUGUS BY ALKYNYLATION OF OXABENZONORBORNADIENES AND THEIR ANTICANCER ACTIVITIES ALKBH3, ASPH, ATL3 MEN1 2374/4885KMT2A 2450/4885ALDH1A1 245/4885
US-20110004005-A1 RHODIUM-PHOSPHORUS COMPLEXES AND THEIR USE IN RING OPENING REACTIONS RPIA, PPIP5K2, POLL MEN1 2845/4885KMT2A 4832/4885ALDH1A1 4540/4885
US-20160368890-A1 PALLADIUM/SILVER CO-CATALYZED TANDEM REACTIONS SYNTHESIS OF PHENYLACETOPHENONE DERIVATIVES BY OXABENZONORBORNADIENES WITH TERMINAL ALKYNES AND THEIR ANTI-TUMOR OR ANTI-CANCER ACTIVITIES PDCD1, PDCD4, TYR MEN1 3664/4885KMT2A 2154/4885ALDH1A1 177/4885

“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.