SCHEMBL10163669

SCHEMBL10163669

c1c2c(cc3c1OCO3)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.50
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 2/20 0.44
CYP2D6 P10635 2/20 0.44
HPGD P15428 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
CYP3A4 P08684 2/20 0.41
HTR1A P08908 1/20 0.41
ACHE P22303 1/20 0.39

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
SCHEMBL1618660 0.94 CHRNA7 (0.50) CHRNA7KDM4EMAPTALDH1A1GLA
SCHEMBL11744516 0.80 KDM4E (0.47) CHRNA7KDM4EMAPTALDH1A1GLA
SCHEMBL1243316 0.79 KDM4E (0.54) KDM4EMAPTALDH1A1CYP2D6HSD17B10
SCHEMBL9216134 0.77 KDM4E (0.53) CHRNA7KDM4EMAPTALDH1A1GLA
SCHEMBL16472556 0.77 CYP3A4 (0.44) CHRNA7KDM4EMAPTALDH1A1GLA
SCHEMBL10969946 0.77 CDC25B (0.40) CHRNA7KDM4EMAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL6954419 0.75 KDM4E (0.52) CHRNA7KDM4EMAPTALDH1A1GLA
SCHEMBL11745677 0.75 CYP2D6 (0.57) CHRNA7KDM4EALDH1A1GLACYP2D6
SCHEMBL8930679 0.75 ABCG2 (0.53) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL15759368 0.74 KDM4E (0.46) CHRNA7KDM4EMAPTALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268530-B2 Positive resist composition, method of forming resist pattern, polymeric compound, and compound TOKYO OHKA KOGYO CO., LTD. (JP) 2012-09-18 US disclosed
US-8268530-B2 Positive resist composition, method of forming resist pattern, polymeric compound, and compound TOKYO OHKA KOGYO CO., LTD. (JP) 2012-09-18 US disclosed
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 US disclosed
US-20100273106-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, POLYMERIC COMPOUND, AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273106-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, POLYMERIC COMPOUND, AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2010-10-28 US disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 US 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 (2 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-20100273106-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, POLYMERIC COMPOUND, AND COMPOUND RDX, DAD1, DDX1 CHRNA7 3179/4885KDM4E 3633/4885MAPT 2474/4885
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH CHRNA7 4784/4885KDM4E 536/4885MAPT 4875/4885

“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.