Sugi Predict

Sugi Predict / Compounds / SCHEMBL466417

SCHEMBL466417

SCHEMBL466417

Cc1cccc2cc[c]cc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ CYP1A2 P05177 7/20 0.47
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TSHR P16473 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CYP2C19 P33261 1/20 0.31
▸ PLAU P00749 1/20 0.30

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
SCHEMBL18317719 0.84 CYP1A2 (0.48) CYP2A6ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL18317671 0.84 ALDH1A1 (0.42) CYP2A6ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL385872 0.83 CYP2A6 (0.54) CYP2A6ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2701310 0.79 CYP1A2 (0.49) CYP2A6ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2701259 0.79 CYP1A2 (0.49) CYP2A6ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2781984 0.77 ALDH1A1 (0.33) CYP2A6ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2251887 0.76 — —
SCHEMBL645983 0.74 CYP2A6 (0.54) CYP2A6ALDH1A1CYP1A2HSD17B10TSHR
SCHEMBL1535628 0.74 TSHR (0.50) CYP2A6ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL647103 0.74 BACE1 (0.34) ALDH1A1CYP1A2CA9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11931412-B2 JAK1 inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2024-03-19 — — US disclosed
CN-113260603-B Preparation of 5-aryl pentanols 巴斯夫欧洲公司 2023-12-01 — — CN disclosed
EP-3908566-B1 PREPARATION OF 5-ARYL PENTANOLS BASF SE (DE) 2023-07-26 — — EP disclosed
US-11581567-B2 Lithium ion battery and electrolyte thereof CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED (CN) 2023-02-14 — — US disclosed
US-11365168-B2 Preparation of 5-aryl-pentanols BASF SE (DE) 2022-06-21 — — US disclosed
US-20220002260-A1 PREPARATION OF 2-SUBSTITUTED 4-METHYL-TETRAHYDROPYRANS FROM 2-SUBSTITUTED 4-HYDROXY-4-METHYL-TETRAHYDROPYRANS AS STARTING MATERIALS BASF SE (DE) 2022-01-06 — — US disclosed
EP-3908566-A1 PREPARATION OF 5-ARYL-PENTANOLS BASF SE (DE) 2021-11-17 — — EP disclosed
US-20210338812-A1 JAK1 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2021-11-04 — — US disclosed
EP-3873888-A1 PREPARATION OF 2-SUBSTITUTED 4-METHYL-TETRAHYDROPYRANS FROM 2-SUBSTITUTED 4-HYDROXY-4-METHYL-TETRAHYDROPYRANS AS STARTING MATERIALS BASF SE (DE) 2021-09-08 — — EP disclosed
CN-113260603-A Preparation of 5-arylpentanols 巴斯夫欧洲公司 2021-08-13 — — CN disclosed
US-5767277-A REDUCING AGENT FOR A CARBONYL COMPOUND TO PRODUCE A 1,3-SYN-DIOL COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-06-16 — — US disclosed
US-5739347-A REDUCING AGENTS FOR DECARBONYLATION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-04-14 — — US disclosed
CN-1174190-A Diaryl alkane derivatives containing alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO CO (JP) 1998-02-25 — — CN disclosed
EP-0821297-A1 Luminescent compound for controlling traveling and method for controlling traveling using the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-01-28 — — EP disclosed
EP-0818512-A1 Quinoline derivative and use of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-01-14 — — EP disclosed
US-5663348-A REDUCTION OF DIKETONE WITH AMINOALKOXYBORANE COMPLEX TO FORM DIALCOHOL ESTER COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-09-02 — — US disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 — — EP disclosed
CN-1116850-A Optically active beta-aminoalkoxyborane complexes NISSAN CHEMICAL IND LTD (JP) 1996-02-14 — — CN disclosed
EP-0680484-A1 OPTICALLY ACTIVE $g(b)-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-11-08 — — EP disclosed
WO-1994017079-A1 OPTICALLY ACTIVE β-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-08-04 — — WO 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-11581567-B2 Lithium ion battery and electrolyte thereof PLCB1, PLCB3, LAGE3 CYP2A6 4413/4885ALDH1A1 4709/4885CYP1A2 4570/4885
US-11365168-B2 Preparation of 5-aryl-pentanols HPD, CYP3A5, HTR3C CYP2A6 69/4885ALDH1A1 127/4885CYP1A2 18/4885
US-20220002260-A1 PREPARATION OF 2-SUBSTITUTED 4-METHYL-TETRAHYDROPYRANS FROM 2-SUBSTITUTED 4-HYDROXY-4-METHYL-TETRAHYDROPYRANS AS STARTING MATERIALS TPMT, DHPS, QDPR CYP2A6 269/4885ALDH1A1 933/4885CYP1A2 155/4885
US-20210338812-A1 JAK1 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 CYP2A6 3242/4885ALDH1A1 1074/4885CYP1A2 2224/4885
US-11931412-B2 JAK1 inhibitors and uses thereof JAK1, JAK3, JAK2 CYP2A6 4099/4885ALDH1A1 1366/4885CYP1A2 3778/4885

“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.