SCHEMBL3407651

SCHEMBL3407651

Cc1cccc2c1C(C)C(C)C(C)[C]2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HTR2C P28335 2/20 0.34
TRPA1 O75762 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
MAP3K14 Q99558 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
SCHEMBL9551788 0.68 HTR2C (0.49) CYP1A2CYP2A6ALDH1A1HTR2CTRPA1
SCHEMBL217130 0.66 HTR2A (0.31)
SCHEMBL9827233 0.60 ALDH1A1 (0.34) CYP1A2CYP2A6ALDH1A1HTR2CTRPA1
SCHEMBL12533329 0.57 HTR2C (0.39) CYP1A2CYP2A6ALDH1A1HTR2CTRPA1
SCHEMBL8086379 0.57 CYP2A6 (0.41) CYP1A2CYP2A6ALDH1A1TRPA1CA1
SCHEMBL16959393 0.57 ALDH1A1 (0.46) CYP1A2CYP2A6ALDH1A1HTR2CTRPA1
SCHEMBL29463284 0.56 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TRPA1CA1
SCHEMBL424167 0.56 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TRPA1CA1
SCHEMBL10474594 0.55
Bromide SCHEMBL11149886 0.55 ALDH1A1 (0.88) CYP1A2CYP2A6ALDH1A1HTR2CTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118284281-A Organic light emitting diode and organic light emitting device including the same 乐金显示有限公司 2024-07-02 CN disclosed
CN-118265327-A Organic light emitting diode and organic light emitting device including the same 乐金显示有限公司 2024-06-28 CN disclosed
EP-4265624-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-10-25 EP disclosed
US-20230320214-A1 ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANIC COMPOUND LG CHEM, LTD. (KR) 2023-10-05 US disclosed
EP-4194460-A1 ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANIC COMPOUND Lg Chem, Ltd. (KR) 2023-06-14 EP disclosed
CN-113875033-A Organic light emitting device 株式会社LG化学 2021-12-31 CN disclosed
CN-113646915-A Organic light emitting device 株式会社LG化学 2021-11-12 CN disclosed
CN-113396151-A Polycyclic compound and organic light-emitting element comprising same 株式会社LG化学 2021-09-14 CN disclosed
CN-113228335-A Organic light emitting device 株式会社LG化学 2021-08-06 CN disclosed
EP-2116523-B1 REXINOID COMPOUND HAVING ALKOXY GROUP UNIV OKAYAMA NAT UNIV CORP (JP) 2015-05-06 EP disclosed
US-20030216586-A1 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them GALDERMA RESEARCH & DEVELOPMENT 2003-11-20 US disclosed
US-6593493-B1 2-(Carboxy(unsaturated)alkyl)-1-(haloalkoxy)benzene derivatives; retinoid X receptors; cardiovascular, skin, eating and vision disorders; anticarcinogenic agents; non-insulin-dependent diabetes LIGAND PHARMACEUTICALS, INC. 2003-07-15 US disclosed
EP-1216221-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-26 EP disclosed
US-6346546-B1 COMPOUNDS HAVING MARKED ACTIVITY IN FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION; TREATING SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-12 US disclosed
EP-0823903-B1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CT INTERNAT DE RECH S (FR) 2001-07-18 EP disclosed
WO-2001019770-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-22 WO disclosed
US-6103762-A A BIAROMATIC COMPOUNDS IN WHICH THE AROMATIC NUCLEI ARE CONNECTED BY A PROPYNYLENE OR ALLENYLENE DIVALENT RADICAL, USEFUL AS HUMAN OR VETERINARY MEDICINE OR USED IN COSMETICS OR KERATINIZATION DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2000-08-15 US disclosed
US-5981776-A FOR USE IN HUMAN OR VETERINARY MEDICINE (DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGICAL COMPLAINTS IN PARTICULAR), OR ALTERNATIVELY IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-11-09 US disclosed
EP-0823903-A1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-02-18 EP disclosed
WO-1997029100-A1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-08-14 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 (2 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-20030216586-A1 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them AR, SRR, MC3R CYP1A2 198/4885CYP2A6 53/4885ALDH1A1 680/4885
US-20230320214-A1 ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANIC COMPOUND CYP1A1, AOX1, CYP1B1 CYP1A2 12/4885CYP2A6 116/4885ALDH1A1 8/4885

“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.