Sugi Predict

Sugi Predict / Compounds / SCHEMBL4841367

SCHEMBL4841367

SCHEMBL4841367

C#Cc1cc(C#Cc2ccccc2C(=O)O)cc2c1OCCC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ XDH P47989 2/20 0.35
▸ SLC22A12 Q96S37 2/20 0.35
▸ CTNNB1 P35222 5/20 0.33
▸ WNT3A P56704 5/20 0.33
▸ AKR1C2 P52895 1/20 0.32
▸ AKR1C1 Q04828 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ GRM1 Q13255 2/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ HNF4A P41235 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ ATM Q13315 1/20 0.30

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
SCHEMBL4848756 0.85 NPC1 (0.34) NPC1RAB9AXDHSLC22A12CTNNB1
SCHEMBL14194550 0.84 GRM5 (0.40) NPC1RAB9ACTNNB1WNT3AGRM5
SCHEMBL27627889 0.79 CTNNB1 (0.37) NPC1RAB9ACTNNB1WNT3AGRM5
SCHEMBL4849349 0.78 USP9X (0.32) CTNNB1WNT3A
SCHEMBL27608751 0.76 GRM1 (0.36) NPC1RAB9ACTNNB1WNT3AMEN1
SCHEMBL4851383 0.74 ALDH1A1 (0.39) XDHSLC22A12CTNNB1WNT3AGRM1
SCHEMBL30011755 0.72 NPC1 (0.59) NPC1RAB9AAKR1C2AKR1C1MEN1
SCHEMBL1535890 0.72 NPC1 (0.59) NPC1RAB9AAKR1C2AKR1C1MEN1
SCHEMBL14194524 0.70 NSD2 (0.41) CTNNB1WNT3AMEN1KMT2AGRM5
SCHEMBL14194549 0.69 GRM5 (0.38) NPC1RAB9AMEN1KMT2AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351737-B2 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. (US) 2008-04-01 — — US disclosed
EP-1485368-A1 SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY Allergan, Inc. (US) 2004-12-15 — — EP disclosed
US-20040077721-A1 Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A ALLERGAN, INC. 2004-04-22 — — US disclosed
US-20030207937-A1 4-[(8-Substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-yl-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. 2003-11-06 — — US disclosed
WO-2003080594-A1 SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY ALLERGAN, INC. (US) 2003-10-02 — — 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-20040077721-A1 Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A RARA, CYP2R1, RXRA NPC1 586/4885RAB9A 1587/4885XDH 146/4885
US-20030207937-A1 4-[(8-Substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-yl-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity RXRA, RARA, CYP26A1 NPC1 2204/4885RAB9A 1520/4885XDH 150/4885

“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.