SCHEMBL4064508

SCHEMBL4064508

COCCOCc1ccc(C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2A6 P11509 2/20 0.44
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
FDPS P14324 1/20 0.39
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
ALDH1A3 P47895 2/20 0.37

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
SCHEMBL3144041 0.82 RAB9A (0.48) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL3146081 0.82 ALDH1A1 (0.52) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL2976913 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPC1TDP1PTPN2
SCHEMBL510761 0.80 ALDH1A1 (0.56) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL16352246 0.80 ALDH5A1 (0.42) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL17849361 0.80 ALDH1A1 (0.39) ALDH1A1NPC1TDP1PTPN2PTPN1
SCHEMBL31015805 0.80 ALDH1A1 (0.39) ALDH1A1NPC1TDP1PTPN2PTPN1
SCHEMBL16846535 0.80 ALDH1A1 (0.39) ALDH1A1NPC1TDP1PTPN2PTPN1
SCHEMBL14157517 0.80 ALDH1A1 (0.39) ALDH1A1NPC1TDP1PTPN2PTPN1
SCHEMBL11946375 0.79 ALDH5A1 (0.45) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380370-A1 XANTHINE CB1 INHIBITORS GFB (ABC), LLC 2022-12-01 US disclosed
EP-4034101-A1 XANTHINE CB1 INHIBITORS Goldfinch Bio, Inc. (US) 2022-08-03 EP disclosed
WO-2021062089-A1 XANTHINE CB1 INHIBITORS GOLDFINCH BIO, INC. (US) 2021-04-01 WO disclosed
EP-1268421-B1 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-05-06 EP disclosed
US-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US disclosed
EP-1268421-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP disclosed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
WO-2001074773-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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-20220380370-A1 XANTHINE CB1 INHIBITORS CNR1, GPR119, CNR2 ALDH1A1 1027/4885LMNA 3456/4885MAPT 4006/4885
US-20020006928-A1 Phenyl-substituted indoles and indazoles IDO1, IDO2, AADAC ALDH1A1 363/4885LMNA 3952/4885MAPT 675/4885

“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.