SCHEMBL7605310

SCHEMBL7605310

O=C(O)CCc1c2ccccc2c(CCC(=O)O)c2ccccc12.[NaH].[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.58
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
EGFR P00533 3/20 0.54
SRC P12931 1/20 0.54
FFAR1 O14842 5/20 0.54
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL311067 0.98 KEAP1 (0.60) KEAP1KDM4EALDH1A1EGFRSRC
SCHEMBL29564062 0.98 KEAP1 (0.60) KEAP1KDM4EALDH1A1EGFRSRC
SCHEMBL7605316 0.95 KEAP1 (0.58) KEAP1KDM4EALDH1A1EGFRSRC
Phenyl Propionic Acid SCHEMBL7826574 0.90 KEAP1 (0.76) KEAP1KDM4EALDH1A1FFAR1HDAC3
SCHEMBL9782880 0.88 FFAR1 (0.68) KEAP1KDM4EALDH1A1EGFRSRC
SCHEMBL11987690 0.88 EGFR (0.50) KEAP1KDM4EALDH1A1EGFRSRC
SCHEMBL9426100 0.88 ALDH1A1 (0.50) KEAP1KDM4EALDH1A1EGFRSRC
SCHEMBL9782874 0.86 KEAP1 (0.59) KEAP1KDM4EALDH1A1EGFRSRC
SCHEMBL9782888 0.85 RXFP1 (0.53) KEAP1KDM4EALDH1A1EGFRSRC
SCHEMBL28613421 0.84 HDAC3 (0.63) KEAP1KDM4EALDH1A1EGFRFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107429075-B Activatable two-component photosensitizer 卡内基梅隆大学 2022-11-01 CN disclosed
CN-113713096-B Naphthalocyanine copper and Au composite material and preparation method and application thereof 河南大学 2022-06-24 CN disclosed
CN-113713096-A Naphthalocyanine copper self-assembly material, naphthalocyanine copper and Au composite material, and preparation method and application thereof 河南大学 2021-11-30 CN disclosed
US-10946098-B2 Activatable two-component photosensitizers CARNEGIE MELLON UNIVERSITY (US) 2021-03-16 US disclosed
US-20200078460-A1 Activatable Two-Component Photosensitizers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-03-12 US disclosed
US-10434177-B2 Activatable two-component photosensitizers CARNEGIE MELLON UNIVERSITY (US) 2019-10-08 US disclosed
US-20180280510-A1 Activatable Two-Component Photosensitizers CARNEGIE MELLON UNIVERSITY 2018-10-04 US disclosed
WO-2016081440-A1 ACTIVATABLE TWO-COMPONENT PHOTOSENSITIZERS CARNEGIE MELLON UNIVERSITY (US) 2016-05-26 WO disclosed
US-20020164651-A1 Diagnostic for inflammatory diseases associated with cartilage and bone surfaces NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-11-07 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 (4 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-20200078460-A1 Activatable Two-Component Photosensitizers FAP, APC, FOSB KEAP1 4415/4885KDM4E 3371/4885ALDH1A1 2313/4885
US-10946098-B2 Activatable two-component photosensitizers FAP, APC, FOSB KEAP1 4415/4885KDM4E 3371/4885ALDH1A1 2313/4885
US-10434177-B2 Activatable two-component photosensitizers FAP, APC, FOSB KEAP1 4415/4885KDM4E 3371/4885ALDH1A1 2313/4885
US-20180280510-A1 Activatable Two-Component Photosensitizers FAP, APC, FOSB KEAP1 4415/4885KDM4E 3371/4885ALDH1A1 2313/4885

“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.