SCHEMBL697450

SCHEMBL697450

COc1cc(CO)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ACHE P22303 1/20 0.44
TTR P02766 2/20 0.43
MMP1 P03956 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
DHFR P00374 1/20 0.43
ALDH1A1 P00352 1/20 0.42
FOS P01100 1/20 0.42
JUN P05412 1/20 0.42
NR3C1 P04150 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42

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
SCHEMBL4162599 0.84 TAAR1 (0.49) CA2POLBCYP3A4TAAR1TSHR
SCHEMBL12366668 0.83 CA2 (0.53) CA2POLBMMP1CYP3A4ALDH1A1
SCHEMBL3022833 0.83 CRHBP (0.50) CA2POLBNPC1RAB9AACHE
SCHEMBL12389920 0.83 CA2 (0.68) CA2POLBNPC1TAAR1TSHR
SCHEMBL29997296 0.83 CA2 (0.68) CA2POLBNPC1RAB9AACHE
SCHEMBL28170408 0.83 CA2 (0.68) CA2POLBNPC1RAB9AACHE
SCHEMBL119395 0.83 CA2 (0.68) CA2POLBNPC1RAB9AACHE
SCHEMBL6173908 0.81 TNKS2 (0.57) POLBCYP4A11TAAR1TSHRMAPK1
SCHEMBL334082 0.81 SLC22A12 (0.40) POLBNPC1RAB9AACHETTR
Methane SCHEMBL7067208 0.81 CA2 (0.65) CA2POLBNPC1RAB9AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-11-23 US disclosed
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-08-22 US disclosed
US-20180194899-A1 PRECURSOR FOR POLYIMIDE AND USE THEREOF ETERNAL MATERIALS CO., LTD. (TW) 2018-07-12 US disclosed
US-20180148541-A1 POLYIMIDE PRECURSOR COMPOSITION AND USE THEREOF ETERNAL MATERIALS CO., LTD. (TW) 2018-05-31 US disclosed
US-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM ORGANOFUEL SWEDEN AB (SE) 2017-11-23 US disclosed
US-20170275215-A1 LIGNIN PROCESSING UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2017-09-28 US disclosed
EP-3205648-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2017-08-16 EP disclosed
EP-3205648-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2017-08-16 EP disclosed
US-9703223-B2 Toner, developer, and toner cartridge HODOGAYA CHEMICAL CO., LTD. (JP) 2017-07-11 US disclosed
EP-2580210-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
EP-0966446-B1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER LAMBERT CO (US) 2005-10-19 EP disclosed
US-6528535-B2 Anticancer agents; restenosis WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
US-20020006936-A1 Bicyclic inhibitors of protein farnesyl transferase BIKKER JACK (US) 2002-01-17 US disclosed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
US-6265422-B1 ANTICANCER AGENTS; CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
US-6133303-A VARIOUS INDENE DERIVATIVES, WITH THE EXCEPTION OF 5-(2-IMIDAZOLE-1-YL-ETHOXY)INDAN-1-ONE; TREATING CANCER AND TREATING OR PREVENTING RESTENOSIS OR ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-10-17 US disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO disclosed
EP-0966446-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-12-29 EP disclosed
WO-1998034921-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-08-13 WO disclosed
US-4598077-A Amidine derivatives and cardiotonic compositions TORII & CO. LTD. (JP) 1986-07-01 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-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS ADH1C, OTC, MLEC CA2 131/4885POLB 486/4885NPC1 3936/4885
US-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM CBR1, ADH1C, AOC2 CA2 1258/4885POLB 516/4885NPC1 2750/4885
US-20170275215-A1 LIGNIN PROCESSING NOX4, SOD1, LPO CA2 461/4885POLB 660/4885NPC1 4013/4885
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis ADH1C, OTC, ADH5 CA2 169/4885POLB 484/4885NPC1 3865/4885
US-20020006936-A1 Bicyclic inhibitors of protein farnesyl transferase FNTA, FNTB, SREBF1 CA2 4149/4885POLB 3302/4885NPC1 16/4885

“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.