SCHEMBL498758

SCHEMBL498758

CC(C(=O)O)c1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.70
MEN1 O00255 2/20 0.70
PTGS1 P23219 2/20 0.70
KMT2A Q03164 2/20 0.70
ABCC4 O15439 1/20 0.70
C5 P01031 1/20 0.70
MAPT P10636 1/20 0.70
PDE4D Q08499 1/20 0.70
KIF11 P52732 4/20 0.66
AKR1B1 P15121 1/20 0.55
PDPK1 O15530 1/20 0.51
CYP17A1 P05093 1/20 0.50
IMPDH2 P12268 2/20 0.49
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRA4 P48169 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
SCHEMBL29760781 1.00 PTGS2 (0.70) PTGS2MEN1PTGS1KMT2AABCC4
SCHEMBL12286224 0.91 KIF11 (0.66) PTGS2MEN1PTGS1KMT2AABCC4
SCHEMBL11067278 0.91 KMT2A (0.66) PTGS2MEN1PTGS1KMT2AABCC4
SCHEMBL31324175 0.86 PTGS2 (0.68) PTGS2MEN1PTGS1KMT2AABCC4
SCHEMBL11298149 0.84 KIF11 (0.60) PTGS2MEN1PTGS1KMT2AABCC4
SCHEMBL9138943 0.84 PTGS2 (0.73) PTGS2MEN1PTGS1KMT2AABCC4
SCHEMBL8189543 0.84 KIF11 (0.60) PTGS2MEN1PTGS1KMT2AABCC4
SCHEMBL7517221 0.83 KIF11 (0.58) PTGS2MEN1PTGS1KMT2AABCC4
SCHEMBL6072669 0.82 KIF11 (0.59) PTGS2MEN1PTGS1KMT2AABCC4
Carprofen SCHEMBL3909 0.82 PTGS2 (1.00) PTGS2MEN1PTGS1KMT2AABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112526038-B Carprofen and related substance detection method 河北科技大学 2022-07-12 CN claimed
CN-112526038-A Carprofen and related substance detection method 河北科技大学 2021-03-19 CN claimed
US-20050232957-A1 Compositions and methods for moisturizing skin TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE 2005-10-20 US claimed
CN-112526038-B Carprofen and related substance detection method 河北科技大学 2022-07-12 CN disclosed
CN-113636965-A High penetration composition and application thereof 于崇曦 2021-11-12 CN disclosed
CN-107320732-B High penetration composition and application thereof 于崇曦 2021-09-07 CN disclosed
CN-108191846-B High penetration composition and application thereof 于崇曦 2021-08-20 CN disclosed
CN-112526038-A Carprofen and related substance detection method 河北科技大学 2021-03-19 CN disclosed
CN-111808011-A High penetration composition and application thereof 于崇曦 2020-10-23 CN disclosed
EP-2379109-B1 COMBINATION OF PHOTODYNAMIC THERAPY AND ANTI-VEGF AGENTS IN THE TREATMENT OF UNWANTED CHOROIDAL NEOVASCULATURE BAUSCH HEALTH COMPANIES INC (CA) 2020-10-07 EP disclosed
US-9226917-B2 Photodynamic therapy for conditions of the eye VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2016-01-05 US disclosed
WO-2001035996-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT INC. (CA) 2001-05-25 WO disclosed
EP-0988034-A1 COX-2 SELECTIVE CARPROFEN FOR TREATING PAIN AND INFLAMMATION IN DOGS PFIZER INC. (US) 2000-03-29 EP disclosed
EP-0151423-A2 Process for the preparation of a carbazole derivative F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-08-14 EP disclosed
US-4226774-A Carbazole melonates HOFFMANN-LA ROCHE INC. (US) 1980-10-07 US disclosed
US-4226774-A Carbazole melonates HOFFMANN-LA ROCHE INC. (US) 1980-10-07 US disclosed
US-4193923-A Tetrahydro 2-carbazolyl methyl malonate derivatives HOFFMANN-LA ROCHE INC. (US) 1980-03-18 US disclosed
US-4193923-A Tetrahydro 2-carbazolyl methyl malonate derivatives HOFFMANN-LA ROCHE INC. (US) 1980-03-18 US disclosed
US-4158007-A Carbazole methyl malonates HOFFMANN-LA ROCHE INC. (US) 1979-06-12 US disclosed
US-4158007-A Carbazole methyl malonates HOFFMANN-LA ROCHE INC. (US) 1979-06-12 US disclosed