Sugi Predict

Sugi Predict / Compounds / SCHEMBL4848756

SCHEMBL4848756

SCHEMBL4848756

C#CCc1cc(C#Cc2ccccc2C(=O)O)cc2c1OCCC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ XDH P47989 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ CTNNB1 P35222 5/20 0.33
▸ WNT3A P56704 5/20 0.33
▸ GRM1 Q13255 2/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL4841367 0.85 NPC1 (0.36) NPC1RAB9AXDHSLC22A12CTNNB1
SCHEMBL14194555 0.85 GRM5 (0.37) NPC1RAB9ACTNNB1WNT3AFFAR1
SCHEMBL4848388 0.79 USP9X (0.33) CTNNB1WNT3A
SCHEMBL4840422 0.75 CTNNB1 (0.38) CTNNB1WNT3AGRM1ALDH1A1MAPT
SCHEMBL14194539 0.73 GRM5 (0.39) NPC1RAB9ACTNNB1WNT3AFFAR1
SCHEMBL14194535 0.72 CTNNB1 (0.39) CTNNB1WNT3AALDH1A1MAPTSMN1; SMN2
SCHEMBL14194551 0.70 GRM5 (0.39) NPC1RAB9ACTNNB1WNT3AFFAR1
SCHEMBL14194550 0.69 GRM5 (0.40) NPC1RAB9ACTNNB1WNT3AFFAR1
SCHEMBL30011755 0.69 NPC1 (0.59) NPC1RAB9AFFAR1ALDH1A1MAPT
SCHEMBL1535890 0.69 NPC1 (0.59) NPC1RAB9AFFAR1ALDH1A1MAPT

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.