SCHEMBL8109893

SCHEMBL8109893

OCCNCCCCNCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 3/20 0.44
CYP1A2 P05177 3/20 0.44
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
TSHR P16473 2/20 0.44
F13A1 P00488 2/20 0.44
CYP2C19 P33261 2/20 0.44
THPO P40225 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
CASP2 P42575 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL1001821 0.96 ALOX15 (0.47) ALDH1A1ALOX15CYP1A2CA12CA2
SCHEMBL1248348 0.96 CYP2C19 (0.47) ALDH1A1ALOX15CYP1A2CA12CA2
SCHEMBL9812850 0.96 ALOX15 (0.47) ALDH1A1ALOX15CYP1A2CA12CA2
SCHEMBL10961785 0.96 ALOX15 (0.47) ALDH1A1ALOX15CYP1A2CA12CA2
SCHEMBL3967822 0.93
SCHEMBL2032344 0.92 CA12 (0.47) ALDH1A1ALOX15CYP1A2CA12CA2
SCHEMBL9801631 0.90 TP53 (0.44) ALDH1A1ALOX15CA12CA2CA9
SCHEMBL9801081 0.90 TP53 (0.44) ALDH1A1ALOX15CA12CA2CA9
SCHEMBL8453720 0.90 TP53 (0.44) ALDH1A1ALOX15CA12CA2CA9
SCHEMBL9548174 0.90 TP53 (0.44) ALDH1A1ALOX15CA12CA2CA9

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
CN-115353853-B Double-component polyurethane adhesive and preparation method and application thereof 杭州之江有机硅化工有限公司 2023-08-01 CN disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 US disclosed
US-6060612-A SKIN CARE COSMETIC PACIFIC CORPORATION (KR) 2000-05-09 US disclosed
US-5106877-A Including hydroxyalkyl hydrazines; preventing discoloration of teeth from antiplaque agents, food spoilage THE ROCKEFELLER UNIVERSITY (US) 1992-04-21 US disclosed
US-4997456-A Antideposit additive ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-03-05 US disclosed
US-3933699-A OXAZOLIDINE OR ENAMINE BASF WYANDOTTE CORPORATION (US) 1976-01-20 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-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 ALDH1A1 1921/4885ALOX15 863/4885CYP1A2 3148/4885
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE H1-4, H1-2, H1-5 ALDH1A1 1919/4885ALOX15 962/4885CYP1A2 3538/4885

“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.