SCHEMBL5735900

SCHEMBL5735900

Cc1c(C#Cc2ccc(CC(=O)O)cc2)ccc(-n2ccnc2)c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.40
TBXAS1 P24557 4/20 0.38
ACACB O00763 2/20 0.35
CYP26A1 O43174 1/20 0.35
CYP3A4 P08684 1/20 0.35
CHRM2 P08172 1/20 0.33
S1PR1 P21453 1/20 0.33
FPR1 P21462 1/20 0.33
FPR3 P25089 1/20 0.33
GPR183 P32249 1/20 0.33
APLNR P35414 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GPR65 Q8IYL9 1/20 0.33
QPCT Q16769 1/20 0.33

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
SCHEMBL5736507 0.89 FFAR1 (0.44) FFAR1TBXAS1CHRM2S1PR1FPR1
SCHEMBL6427800 0.85 TDP1 (0.36) FFAR1ACACBCYP26A1CYP3A4
SCHEMBL5735868 0.80 ADH5 (0.38) CYP3A4
SCHEMBL6427152 0.79 TBXAS1 (0.35) FFAR1TBXAS1
SCHEMBL6427628 0.75 TDP1 (0.38) FFAR1ACACBCYP3A4
SCHEMBL5735726 0.74 ADH5 (0.47) TBXAS1CYP3A4
SCHEMBL5738924 0.70 LMNA (0.49) TBXAS1CYP3A4
SCHEMBL7984336 0.69 PDE4A (0.37) TBXAS1CYP3A4
SCHEMBL5735891 0.67 TBXAS1 (0.47) FFAR1TBXAS1ACACBS1PR1
SCHEMBL7434598 0.67 TBXAS1 (0.68) TBXAS1CYP3A4QPCT

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1366036-B1 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN INC (US) 2006-01-11 EP claimed
EP-1366036-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI Allergan, Inc. (US) 2003-12-03 EP claimed
EP-1322631-A2 METHODS OF PROVIDING AND USING COMPOUNDS ( RETINOIDS ) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI Allergan, Inc. (US) 2003-07-02 EP claimed
US-20030078270-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2003-04-24 US claimed
US-6495552-B2 TREATMENT OR PREVENTION OF THE DISEASES AND CONDITIONS WHICH RESPOND TO TREATMENT BY RETINOIDS AND OR WHICH IN HEALTHY MAMMALS, INCLUDING HUMANS, ARE CONTROLLED BY NATURAL RETINOIC ACID. ALLERGAN, INC. 2002-12-17 US claimed
US-20020183285-A1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2002-12-05 US claimed
US-20020160986-A1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2002-10-31 US claimed
US-20020132796-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2002-09-19 US claimed
WO-2002026727-A2 METHODS OF PROVIDING AND USING COMPOUNDS (RETINOIDS) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-04-04 WO claimed
WO-2002018361-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-03-07 WO claimed
EP-1366036-B1 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN INC (US) 2006-01-11 EP disclosed
US-6855512-B2 Methods for identifying inhibitors of cytochrome P450RAI ALLERGAN, INC. (US) 2005-02-15 US disclosed
US-6713647-B2 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2004-03-30 US disclosed
EP-1366036-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI Allergan, Inc. (US) 2003-12-03 EP disclosed
US-20030186947-A1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2003-10-02 US disclosed
US-6359135-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2002-03-19 US disclosed
WO-2002018361-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-03-07 WO disclosed
US-6313107-B1 ADMINISTERING TO MAMMAL TO TREAT DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2001-11-06 US disclosed
US-6291677-B1 FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES AND KERATINIZATION AND HYPERPROLIFERATIVE DISORDERS OF SKIN ALLERGAN SALES, INC. 2001-09-18 US disclosed
US-6252090-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2001-06-26 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 (5 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-20030078270-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI CYP26B1, CYP21A2, ALDH1A2 FFAR1 1743/4885TBXAS1 373/4885ACACB 446/4885
US-20020183285-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARG, RARB FFAR1 1641/4885TBXAS1 464/4885ACACB 849/4885
US-20020132796-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI CYP26B1, CYP21A2, ALDH1A2 FFAR1 1743/4885TBXAS1 373/4885ACACB 446/4885
US-20030186947-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARB, RARG FFAR1 1287/4885TBXAS1 479/4885ACACB 977/4885
US-20020160986-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARG, RARB FFAR1 1641/4885TBXAS1 464/4885ACACB 849/4885

“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.