SCHEMBL17373971

SCHEMBL17373971

COC1=C(NCC(=O)O)CCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ FFAR3 O14843 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ BUB1 O43683 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ PARP1 P09874 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
SCHEMBL18803284 0.87 NLRP3 (0.35) RAB9AFFAR3TSHRL3MBTL1KDM4E
SCHEMBL17378363 0.79 KEAP1 (0.43) TP53RAB9APTGS2ALDH1A1
SCHEMBL10897374 0.76 TP53 (0.41) TP53RAB9AGRIN2DGRIN3BGRIN1
SCHEMBL17378352 0.76 KEAP1 (0.43) TP53RAB9APTGS2ALDH1A1
SCHEMBL17378360 0.75 KEAP1 (0.42) TP53RAB9APOLBALDH1A1
SCHEMBL17378351 0.75 KEAP1 (0.42) TP53RAB9APOLBALDH1A1
SCHEMBL17378357 0.75 KEAP1 (0.42) TP53RAB9APOLBALDH1A1
SCHEMBL2597419 0.73 SLC6A3 (0.40) TP53RAB9AKDM4EALDH1A1
SCHEMBL17378348 0.73 KEAP1 (0.39) —
SCHEMBL17378346 0.73 KEAP1 (0.39) —

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
EP-3164196-B1 TOPICAL FORMULATIONS FOR UV PROTECTION TOPGENIX INC (US) 2021-08-18 — — EP disclosed
US-10064797-B2 Topical formulations for UV protection TopGeniX, Inc. (US) 2018-09-04 — — US disclosed
EP-3164196-A1 TOPICAL FORMULATIONS FOR UV PROTECTION TOPGENIX, INC. (US) 2017-05-10 — — EP disclosed
US-20170119641-A1 TOPICAL FORMULATIONS FOR UV PROTECTION TopGeniX, Inc. 2017-05-04 — — US disclosed
US-20170119641-A1 TOPICAL FORMULATIONS FOR UV PROTECTION TopGeniX, Inc. 2017-05-04 — — US disclosed
US-20170119641-A1 TOPICAL FORMULATIONS FOR UV PROTECTION TopGeniX, Inc. 2017-05-04 — — US disclosed
WO-2015195546-A1 TOPICAL FORMULATIONS FOR UV PROTECTION TopGeniX, Inc. (US) 2015-12-23 — — WO 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-10064797-B2 Topical formulations for UV protection ERCC4, ERCC1, UNG TP53 612/4885RAB9A 1217/4885FFAR3 3490/4885
US-20170119641-A1 TOPICAL FORMULATIONS FOR UV PROTECTION ERCC4, ERCC1, UNG TP53 612/4885RAB9A 1217/4885FFAR3 3490/4885

“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.

Send feedback