SCHEMBL1878783

SCHEMBL1878783

CCc1ccc2ccc(CC)cc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.76
▸ CYP1A2 P05177 2/20 0.76
▸ TRPA1 O75762 1/20 0.50
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ DAO P14920 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40

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
SCHEMBL29475635 1.00 CYP2A6 (0.76) CYP2A6CYP1A2TRPA1AKR1C3AKR1C2
SCHEMBL6890734 0.92 CYP2A6 (0.73) CYP2A6CYP1A2TRPA1AKR1C3AKR1C2
SCHEMBL6885287 0.92 CYP2A6 (0.73) CYP2A6CYP1A2TRPA1AKR1C3AKR1C2
SCHEMBL29407167 0.91 CYP2A6 (0.80) CYP2A6CYP1A2TRPA1AKR1C3AKR1C2
SCHEMBL347592 0.91 CYP2A6 (0.80) CYP2A6CYP1A2TRPA1AKR1C3AKR1C2
SCHEMBL15345795 0.88 CYP2A6 (0.61) CYP2A6CYP1A2TRPA1AKR1C3AKR1C2
SCHEMBL29076155 0.88 CYP1A2 (0.61) CYP2A6CYP1A2TRPA1AKR1C3AKR1C2
SCHEMBL7754288 0.88 CYP2A6 (0.64) CYP2A6CYP1A2TRPA1AKR1C3AKR1C2
SCHEMBL9845624 0.88 CYP1A2 (0.61) CYP2A6CYP1A2TRPA1AKR1C3AKR1C2
SCHEMBL31534025 0.87 CYP2A6 (1.00) CYP2A6CYP1A2AKR1C3AKR1C2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101443118-A Process for the production of aromatic carboxylic acids in water BP CORP NORTH AMERICA INC (US) 2009-05-27 — — CN claimed
US-5321182-A From naphthalene and polyethylbenzenes in the presence of an acid catalyst NIPPON STEEL CHEMICAL CO., LTD. (JP) 1994-06-14 — — US claimed
US-5300721-A Adsorbing the isomers by a zeolite NIPPON STEEL CHEMICAL CO., LTD. (JP) 1994-04-05 — — US claimed
EP-0349189-B1 SELECTIVE PRODUCTION OF 2,6-DIETHYL-NAPHTHALENE AMOCO CORPORATION (US) 1993-09-15 — — EP claimed
EP-0496831-A4 SELECTIVE DIETHYLATION OF NAPHTHALENE TO 2,6-DIETHYLNAPHTHALENE — 1992-10-07 — — EP claimed
EP-0496831-A1 SELECTIVE DIETHYLATION OF NAPHTHALENE TO 2,6-DIETHYLNAPHTHALENE CATALYTICA INC. (US) 1992-08-05 — — EP claimed
WO-1991005751-A1 SELECTIVE DIETHYLATION OF NAPHTHALENE TO 2,6-DIETHYLNAPHTHALENE CATALYTICA, INC. (US) 1991-05-02 — — WO claimed
JP-7061943-A — — None — — JP disclosed
JP-7242576-A — — None — — JP disclosed
US-12577193-B2 Process for recovering oxidation by-products INEOS US CHEMICALS COMPANY (US) 2026-03-17 — — US disclosed
US-20230219878-A1 Process for Recovering Oxidation By-Products INEOS US CHEMICALS COMPANY 2023-07-13 — — US disclosed
CN-115803311-A Method for recovering oxidation by-products 英力士美国化学公司 2023-03-14 — — CN disclosed
US-20220380287-A1 Solids-Liquid Separation Processes INEOS US CHEMICALS COMPANY (US) 2022-12-01 — — US disclosed
US-5300721-A Adsorbing the isomers by a zeolite NIPPON STEEL CHEMICAL CO., LTD. (JP) 1994-04-05 — — US disclosed
EP-0349189-B1 SELECTIVE PRODUCTION OF 2,6-DIETHYL-NAPHTHALENE AMOCO CORPORATION (US) 1993-09-15 — — EP disclosed
US-5177286-A Selective production of a p-alkyltoluene or 4,4'-alkylmethylbiphenyl AMOCO CORPORATION (US) 1993-01-05 — — US disclosed
US-5171917-A Ethylation of benzene, toluene, ethylbenzene or a mixture of benzene and ethylbenzene with 1,2,4-triethylbenezene, tetra- or pentaethylbenzene in the presence of an acid catalys catalyst AMOCO CORPORATION (US) 1992-12-15 — — US disclosed
WO-1990000163-A1 SELECTIVE PRODUCTION OF 2,6-DIETHYLNAPHTHALENE AMOCO CORPORATION (US) 1990-01-11 — — WO disclosed
EP-0349189-A1 Selective production of 2,6-diethyl-naphthalene AMOCO CORPORATION (US) 1990-01-03 — — EP disclosed
US-4873386-A ETHYLATING AGENT, LEWIS ACID CATALYST AMOCO CORPORATION (US) 1989-10-10 — — 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-12577193-B2 Process for recovering oxidation by-products HAO2, OSBP, SPOUT1 CYP2A6 294/4885CYP1A2 60/4885TRPA1 276/4885

“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.

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