SCHEMBL322439

SCHEMBL322439

c1ccc2c3c(ccc2c1)CCCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP2A6 P11509 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPRT1 P00492 1/20 0.42
ANPEP P15144 1/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
NQO1 P15559 2/20 0.41
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL29853815 1.00 KIF11 (0.49) KIF11TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL28753848 0.98 KIF11 (0.47) KIF11TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL597361 0.96 HSD17B10 (0.46) KIF11TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL29508231 0.96 HSD17B10 (0.46) KIF11TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL2089665 0.90 HPRT1 (0.54) KIF11TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL21176632 0.90 HPRT1 (0.54) KIF11TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL30928215 0.90 HPRT1 (0.54) KIF11TSHRHSD17B10CYP2A6ALDH1A1
Furan SCHEMBL3216568 0.89 KIF11 (0.41) KIF11TSHRHSD17B10CYP2A6ALDH1A1
SCHEMBL31490440 0.88 HPRT1 (0.52) KIF11TSHRHSD17B10CYP2A6ALDH1A1
Water SCHEMBL28388195 0.88 HPRT1 (0.52) KIF11TSHRHSD17B10CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661484-A Tetrahydrophenanthrene-2 (1H) -ketone compound and preparation method and application thereof 浙江工业大学 2025-03-21 CN claimed
CN-119319000-A Regeneration method of deactivated hydrogenation catalyst 中国石油化工股份有限公司 2025-01-17 CN claimed
CN-118561233-A Liquid hydrogen storage composition and preparation method thereof 武汉氢阳能源有限公司 2024-08-30 CN claimed
CN-118291179-A Method for preparing aviation kerosene by stepwise hydrogenation of medium-low temperature coal tar 陕西延长石油(集团)有限责任公司 2024-07-05 CN claimed
CN-112867728-B Copper-chelated (pyridylmethylene) butanediamine derivatives 冷泉港实验室 2024-04-05 CN claimed
CN-116854553-A Synthesis method of phenanthrene compound 武汉大学 2023-10-10 CN claimed
CN-111584012-B Modeling method and control device for raw material reaction kinetic model 中国神华煤制油化工有限公司 2023-10-03 CN claimed
CN-113956901-A Method for preparing mesophase pitch from medium-low temperature coal tar and application 神木富油能源科技有限公司 2022-01-21 CN claimed
CN-112867728-A Copper chelated (pyridylmethylene) butanediamine derivatives 冷泉港实验室 2021-05-28 CN claimed
EP-3823977-A1 (PYRIDINYLMETHYL)BUTANEDIAMINE DERIVATIVES THAT CHELATE COPPER Cold Spring Harbor Laboratory (US) 2021-05-26 EP claimed
WO-1991017230-A1 METHOD FOR UPGRADING STEAM CRACKER TARS EXXON CHEMICAL PATENTS INC. (US) 1991-11-14 WO claimed
US-5015404-A Heat and oxidation resistance NIPPON OIL CO., LTD. (JP) 1991-05-14 US claimed
EP-0259417-B1 RUTHENIUM CATALYST FOR BIARYLIC COUPLING; NEW STEGANOLIDES UNIVERSITE DU MAINE (LE MANS) (FR) 1990-01-03 EP claimed
EP-0338311-A1 Oil composition containing hydrogenated oil NIPPON OIL CO. LTD. (JP) 1989-10-25 EP claimed
US-4873349-A Ruthenium catalyst for biarylic coupling; new steganolides UNIVERSITE DU MAINE (LE MANS) (FR) 1989-10-10 US claimed
EP-0259417-A1 RUTHENIUM CATALYST FOR BIARYLIC COUPLING; NEW STEGANOLIDES. UNIV MAINE LE MANS (FR) 1988-03-16 EP claimed
WO-1987005289-A1 RUTHENIUM CATALYST FOR BIARYLIC COUPLING; NEW STEGANOLIDES UNIVERSITE DU MAINE (LE MANS) (FR) 1987-09-11 WO claimed
US-4460557-A Starting pitches for carbon fibers NIPPON OIL CO., LTD. (JP) 1984-07-17 US claimed
US-4322284-A LIQUEFACTION OF ASH-CONTAINING RAW COAL TO HYDROCARBON FUELS; IMPROVED DISSOLVING; HYDROGENATION CATALYSTS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-03-30 US claimed
WO-1981002305-A1 SOLVENT REFINING OF COAL USING OCTAHYDROPHENANTHRENE-ENRICHED SOLVENT AND COAL MINERALS RECYCLE GULF RESEARCH DEVELOPMENT CO (US) 1981-08-20 WO claimed