SCHEMBL3087539

SCHEMBL3087539

S=C(Oc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.42
PARP10 Q53GL7 1/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C3 P42330 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL7583060 1.00 ELANE (0.42) ELANEPARP10NSD2ALDH1A1MAPT
SCHEMBL8834811 0.95 ELANE (0.42) ELANEPARP10NSD2ALDH1A1MAPT
Thiobenzoic Acid SCHEMBL2253615 0.93 ELANE (0.38) ELANEPARP10NSD2ALDH1A1MAPT
SCHEMBL28415280 0.85 CES2 (0.45) ELANEPARP10ALDH1A1MAPTTSHR
SCHEMBL19943304 0.85 KMT2A (0.44) ELANEPARP10ALDH1A1L3MBTL1ATM
SCHEMBL23731491 0.85 USP2 (0.49) ELANEALDH1A1MAPTTSHRKMT2A
SCHEMBL26965397 0.85 NPC1 (0.56) ELANEALDH1A1MAPTLTA4HTSHR
SCHEMBL23731490 0.85 CES2 (0.45) ELANEALDH1A1MAPTTSHRL3MBTL1
SCHEMBL23731325 0.85 ALOX15 (0.41) ALDH1A1MAPTL3MBTL1ATMKMT2A
SCHEMBL2373359 0.84 MAPT (0.43) ELANEALDH1A1MAPTTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920242-B Preparation method of high-capacity graphite composite material 格龙新材料科技(常州)有限公司 2023-05-05 CN claimed
US-20140138587-A1 COVALENT MODIFICATION AND CROSSLINKING OF CARBON MATERIALS BY SULFUR ADDITION WILLIAM MARSH RICE UNIVERSITY (US) 2014-05-22 US claimed
EP-0056519-B1 SHORT LENGTH ESTER LIQUID CRYSTAL MIXTURES Hughes Aircraft Company (US) 1986-08-06 EP claimed
US-4585574-A POSITIVE DIELECTRIC ANISOTROPY BAYER AKTIENGESELLSCHAFT (DE) 1986-04-29 US claimed
US-4427569-A Short length ester liquid crystal mixtures and process for making same HUGHES AIRCRAFT COMPANY (US) 1984-01-24 US claimed
EP-4553061-A1 METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2025-05-14 EP disclosed
CN-119403778-A Process for producing fluorinated organic compound 大金工业株式会社 2025-02-07 CN disclosed
EP-4317124-A1 METHOD FOR PRODUCING ORGANIC FLUORINE COMPOUNDS DAIKIN INDUSTRIES, LTD. (JP) 2024-02-07 EP disclosed
WO-2024009998-A1 METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND ダイキン工業株式会社 2024-01-11 WO disclosed
EP-4223736-A1 PRODUCTION METHOD FOR FLUORINATED ORGANIC COMPOUND Daikin Industries, Ltd. (JP) 2023-08-09 EP disclosed
US-20230242468-A1 PRODUCTION METHOD FOR FLUORINATED ORGANIC COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2023-08-03 US disclosed
CN-116249686-A Process for producing fluorinated organic compound 大金工业株式会社 2023-06-09 CN disclosed
US-4689171-A LIQUID CRYSTALS BAYER AKTIENGESELLSCHAFT (DE) 1987-08-25 US disclosed
EP-0056519-B1 SHORT LENGTH ESTER LIQUID CRYSTAL MIXTURES Hughes Aircraft Company (US) 1986-08-06 EP disclosed
US-4585574-A POSITIVE DIELECTRIC ANISOTROPY BAYER AKTIENGESELLSCHAFT (DE) 1986-04-29 US disclosed
US-4427569-A Short length ester liquid crystal mixtures and process for making same HUGHES AIRCRAFT COMPANY (US) 1984-01-24 US disclosed
EP-0056519-A2 Short length ester liquid crystal mixtures Hughes Aircraft Company (US) 1982-07-28 EP disclosed
US-4237026-A Liquid crystalline carboxylic acid esters MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-02 US disclosed
US-4073742-A Cyano-substituted biphenyl compounds and liquid crystalline dielectrics containing the same MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1978-02-14 US disclosed
US-4041171-A Octyl thiobenzoate used as an acaricide SOCIETE D'ETUDES ET DE REALISATIONS SCIENTIFIQUES EN ABREGE S.E.R.E.S.C.I.S.P.R.L. (BE) 1977-08-09 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 (1 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-20230242468-A1 PRODUCTION METHOD FOR FLUORINATED ORGANIC COMPOUND IPO5, PFAS, FBL ELANE 3744/4885PARP10 3850/4885NSD2 2483/4885

“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.