Sugi Predict

Sugi Predict / Compounds / SCHEMBL1971305

SCHEMBL1971305

SCHEMBL1971305

c1ccc2c3c(ccc2c1)CCCO3

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 13/20 0.40
▸ NFKB2 Q00653 13/20 0.40
▸ RELA Q04206 13/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ACHE P22303 1/20 0.37
▸ HPRT1 P00492 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL29910203 1.00 NFKB1 (0.40) NFKB1NFKB2RELAALDH1A1CYP2A6
SCHEMBL28089888 0.82 NFKB1 (0.38) NFKB1NFKB2RELAALDH1A1CYP2A6
SCHEMBL3332494 0.80 HPRT1 (0.50) NFKB1NFKB2RELAALDH1A1CYP2A6
SCHEMBL14259741 0.76 CYP19A1 (0.49) ALDH1A1CYP2A6TSHRHSD17B10CYP1A2
SCHEMBL4905935 0.74 NFKB1 (0.40) NFKB1NFKB2RELAALDH1A1CYP2A6
SCHEMBL22744553 0.74 SSTR4 (0.49) —
SCHEMBL6082544 0.73 MAPT (0.47) ACHECYP1A2
SCHEMBL30987787 0.72 ALDH1A1 (0.49) ALDH1A1HSD17B10
SCHEMBL6157146 0.71 NFKB1 (0.38) NFKB1NFKB2RELAALDH1A1CYP2A6
SCHEMBL13909920 0.71 CTNNB1 (0.36) ALDH1A1CYP2A6TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286609-B Preparation method of 2-trifluoromethyl substituted dihydrobenzochromene 浙江理工大学 2023-12-19 — — CN claimed
EP-0998471-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-03-14 — — EP claimed
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 — — US claimed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 — — US claimed
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 — — EP claimed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 — — WO claimed
US-12569503-B2 Methods and compositions for substituted axially-chiral cannabinol analogs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2026-03-10 — — US disclosed
CN-115286609-B Preparation method of 2-trifluoromethyl substituted dihydrobenzochromene 浙江理工大学 2023-12-19 — — CN disclosed
CN-115286609-B Preparation method of 2-trifluoromethyl substituted dihydrobenzochromene 浙江理工大学 2023-12-19 — — CN disclosed
CN-115286609-B Preparation method of 2-trifluoromethyl substituted dihydrobenzochromene 浙江理工大学 2023-12-19 — — CN disclosed
CN-110343084-B Double-condensed ring naphthopyran photochromic compound and preparation method thereof 天津孚信阳光科技有限公司 2022-12-02 — — CN disclosed
US-20220106284-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED AXIALLY-CHIRAL CANNABINOL ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2022-04-07 — — US disclosed
US-9841652-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-12-12 — — US disclosed
US-20030040623-A1 For use in synthetic resins to obtain violet to blue tints; used in phototropic glasses RODENSTOCK GMBH (DE) 2003-02-27 — — US disclosed
US-6478988-B1 Photochromic substituted naphthopyran compounds BMC VISION-EASE LENS, INC. 2002-11-12 — — US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 — — US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 — — US disclosed
EP-1016702-A2 Photochromic substituted naphthopyran compounds BMC Vision-Ease Lens Inc. (US) 2000-07-05 — — EP disclosed
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 — — EP disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 — — 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 (4 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-12569503-B2 Methods and compositions for substituted axially-chiral cannabinol analogs OPRD1, OPRM1, OPRK1 NFKB1 4480/4885NFKB2 2851/4885RELA 3925/4885
US-20220106284-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED AXIALLY-CHIRAL CANNABINOL ANALOGS CNR2, CNR1, OPRK1 NFKB1 4150/4885NFKB2 4166/4885RELA 2345/4885
US-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 NFKB1 2679/4885NFKB2 3310/4885RELA 2387/4885
US-20030040623-A1 For use in synthetic resins to obtain violet to blue tints; used in phototropic glasses NR2E3, RB1, BRD7 NFKB1 4683/4885NFKB2 4725/4885RELA 4133/4885

“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.