SCHEMBL78901

SCHEMBL78901

COc1ccc(C(OC(c2ccccc2)c2ccc(OC)cc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.56
CA4 P22748 1/20 0.54
LTA4H P09960 2/20 0.52
ALDH1A1 P00352 4/20 0.52
PBRM1 Q86U86 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TRPA1 O75762 1/20 0.47
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL3389444 0.91 CA1 (0.58) ACP3CA4LTA4HALDH1A1CA12
SCHEMBL17599983 0.87 ACP3 (0.56) ACP3CA4LTA4HALDH1A1PBRM1
SCHEMBL11784757 0.83 ACP3 (0.58) ACP3CA4LTA4HALDH1A1PBRM1
SCHEMBL3131759 0.83 CA4 (0.54) ACP3CA4LTA4HALDH1A1PBRM1
SCHEMBL9765970 0.83 ACHE (0.65) ALDH1A1CA12CA1CA2CA7
SCHEMBL13295540 0.82 SLC2A1 (0.61) ACP3CA4LTA4HALDH1A1PBRM1
SCHEMBL14205685 0.82 SLC2A1 (0.61) ACP3CA4LTA4HALDH1A1PBRM1
SCHEMBL13295537 0.82 SLC2A1 (0.61) ACP3CA4LTA4HALDH1A1PBRM1
SCHEMBL40557 0.82 SLC2A1 (0.61) ACP3CA4LTA4HALDH1A1PBRM1
SCHEMBL8429413 0.82 PBRM1 (0.62) ACP3CA4LTA4HALDH1A1PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58072499-A None JP disclosed
US-12006311-B2 Compounds for use in preventing or treating cancer FUNDACIÓ HOSPITAL UNIVERSITARI VALL D'HEBRONINSTITUT DE RECERCA (ES) 2024-06-11 US disclosed
WO-2024083861-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF SELABTEC SCIENCES, SLU (ES) 2024-04-25 WO disclosed
EP-4356909-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF Selabtec Sciences, SLU (ES) 2024-04-24 EP disclosed
EP-3645548-B1 METHODS FOR PREPARING BILE ACIDS MEDYTOX INC (KR) 2023-11-29 EP disclosed
CN-111328332-B Process for the preparation of bile acids 玫帝托克斯股份有限公司 2023-01-24 CN disclosed
EP-3271468-B1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES LABORATORIO TECNICO DE SEGURIDAD Y ESTANDARIZACION SL (ES) 2022-12-14 EP disclosed
CN-107849594-B Deamination of organophosphorus nucleosides 科技学专业学院有限公司 2022-01-18 CN disclosed
US-20220009957-A1 Methods for Preparing Bile Acids MEDYTOX INC. (KR) 2022-01-13 US disclosed
US-11161872-B2 Methods for preparing bile acids MEDYTOX INC. (KR) 2021-11-02 US disclosed
US-20050014715-A1 Inosine compounds and their use for treating or preventing an inflammation or reperfusion disease SALZMAN ANDREW L (US) 2005-01-20 US disclosed
EP-1487829-A1 THIADIAZOLYLPIPERAZINE DERIVATIVES USEFUL FOR TREATING OR PREVENTING PAIN Euro-Celtique S.A. (LU) 2004-12-22 EP disclosed
US-20040235853-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2004-11-25 US disclosed
US-20040044003-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2004-03-04 US disclosed
EP-1383505-A2 INOSINE COMPOUNDS AND THEIR USE FOR TREATING OR PREVENTING AN INFLAMATION OR A REPERFUSION DISEASE Inotek Pharmaceuticals Corporation (US) 2004-01-28 EP disclosed
US-20040006091-A1 Therapeutic agents useful for treating or preventing pain PURDUE PHARMA L.P. 2004-01-08 US disclosed
WO-2003074520-A1 THIADIAZOLYLPIPERAZINE DERIVATIVES USEFUL FOR TREATING OR PREVENTING PAIN EURO-CELTIQUE, S.A. (LU) 2003-09-12 WO disclosed
US-20030040502-A1 Inosine compounds and their use for treating or preventing an inflamation or a reperfusion disease INOTEK PHARMACEUTICALS CORPORATION 2003-02-27 US disclosed
WO-2002076400-A2 INOSINE COMPOUNDS AND THEIR USE FOR TREATING OR PREVENTING AN INFLAMATION OR A REPERFUSION DISEASE INOTEK PHARMACEUTICALS CORPORATION (US) 2002-10-03 WO disclosed
JP-S5872499-A HEAT-SENSITIVE RECORDING MATERIAL FUJI PHOTO FILM CO LTD 1983-04-30 JP 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 (8 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-20040006091-A1 Therapeutic agents useful for treating or preventing pain OPRK1, OPRL1, OPRD1 ACP3 989/4885CA4 2524/4885LTA4H 326/4885
US-20030040502-A1 Inosine compounds and their use for treating or preventing an inflamation or a reperfusion disease NOS2, NOS1, ARG2 ACP3 3201/4885CA4 3389/4885LTA4H 922/4885
US-20220009957-A1 Methods for Preparing Bile Acids DHCR7, CYP46A1, CYP27A1 ACP3 134/4885CA4 1030/4885LTA4H 2045/4885
US-20050014715-A1 Inosine compounds and their use for treating or preventing an inflammation or reperfusion disease NOS2, NOS1, NOS3 ACP3 2541/4885CA4 3872/4885LTA4H 1087/4885
US-11161872-B2 Methods for preparing bile acids DHCR7, CYP46A1, CYP27A1 ACP3 134/4885CA4 1030/4885LTA4H 2045/4885
US-12006311-B2 Compounds for use in preventing or treating cancer UGT1A3, UGT1A1, UGT1A6 ACP3 91/4885CA4 303/4885LTA4H 1436/4885
US-20040235853-A1 Therapeutic agents useful for treating pain OPRM1, OPRL1, ALPI ACP3 2539/4885CA4 3709/4885LTA4H 220/4885
US-20040044003-A1 Therapeutic agents useful for treating pain GRIK5, HBS1L, GABRR1 ACP3 4562/4885CA4 4713/4885LTA4H 1755/4885

“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.