SCHEMBL550602

SCHEMBL550602

c1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1ccccc13

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 1.00
ALDH1A1 P00352 3/20 0.78
HSD17B10 Q99714 2/20 0.78
GPR3 P46089 1/20 0.78
KIF11 P52732 11/20 0.64
TOP2A P11388 1/20 0.58
KDM4E B2RXH2 3/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 2/20 0.57
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL12219478 1.00 AHR (1.00) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL29380459 1.00 AHR (1.00) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL12219476 1.00 AHR (1.00) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL12240737 0.95 AHR (0.90) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL16195631 0.93 AHR (0.86) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL31453782 0.93 AHR (0.86) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL17072697 0.93 AHR (0.86) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL16290400 0.93 AHR (0.86) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL29406398 0.92 AHR (0.85) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL1636528 0.92 AHR (0.85) AHRALDH1A1HSD17B10GPR3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12502342-B2 Cosmetic composition MANKE NICOLE (US) 2025-12-23 US claimed
EP-4025643-B1 THERMOPLASTIC MOLDING COMPOSITIONS THAT RESIST HEAT BASF SE (DE) 2023-08-16 EP claimed
US-20220315738-A1 THERMOPLASTIC MOLDING COMPOSITIONS THAT RESIST HEAT BASF SE (DE) 2022-10-06 US claimed
EP-4025643-A1 THERMOPLASTIC MOLDING COMPOSITIONS THAT RESIST HEAT BASF SE (DE) 2022-07-13 EP claimed
WO-2022094174-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ESOPHAGEAL CONDITIONS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-05-05 WO claimed
WO-2021043859-A1 THERMOPLASTIC MOLDING COMPOSITIONS THAT RESIST HEAT BASF SE (DE) 2021-03-11 WO claimed
WO-2019115576-A1 METHODS OF TREATING HEART FAILURE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-06-20 WO claimed
US-20180256617-A1 METHODS FOR EXTENDING LIFESPAN AND METHODS OF SCREENING KNOWN PHARMACOLOGICAL AGENTS FOR NEW USES LONGEVICA THERAPEUTICS INC. 2018-09-13 US claimed
US-20160343960-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-24 US claimed
WO-2016168670-A2 METHODS FOR EXTENDING LIFESPAN AND METHODS OF SCREENING KNOWN PHARMACOLOGICAL AGENTS FOR NEW USES LONGEVICA THERAPEUTICS INC. (US) 2016-10-20 WO claimed
US-20100151045-A1 COMPOSITION AND METHOD FOR REDUCING SIDE-EFFECTS OF INDOLE-3-CARBINOL AND DERIVATIVES ZHOU JAMES H 2010-06-17 US claimed
EP-1030663-B1 TREATMENT OF FIBROMYALGIA AND RELATED DISORDERS DESIGNED NUTRITIONAL PRODUCTS (US) 2010-03-10 EP claimed
US-20060003027-A1 Composition and method for reducing side effects of indole-3-carbinol and derivatives CANON KABUSHIKI KAISHA (JP) 2006-01-05 US claimed
US-6656963-B2 Inhibits tumor cell growth THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-12-02 US claimed
US-20030087946-A1 Indole-3-carbinol (I3C) derivatives and methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-08 US claimed
EP-1030663-A4 TREATMENT OF FIBROMYALGIA AND RELATED DISORDERS DESIGNED NUTRITIONAL PRODUCTS (US) 2002-06-26 EP claimed
US-6369095-B1 ANTITUMOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-04-09 US claimed
EP-1030663-A1 TREATMENT OF FIBROMYALGIA AND RELATED DISORDERS Designed Nutritional Products Inc. (US) 2000-08-30 EP claimed
WO-1999017768-A1 TREATMENT OF FIBROMYALGIA AND RELATED DISORDERS DESIGNED NUTRITIONAL PRODUCTS, INC. (US) 1999-04-15 WO claimed
US-5843607-A Indolocarbazole photoconductors XEROX CORPORATION (US) 1998-12-01 US claimed

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-20030087946-A1 Indole-3-carbinol (I3C) derivatives and methods CDK6, CDK3, CDKL3 AHR 1827/4885ALDH1A1 3650/4885HSD17B10 1586/4885
US-20160343960-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CALCOCO2, CYBA, INTS9 AHR 132/4885ALDH1A1 2102/4885HSD17B10 3153/4885

“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.