SCHEMBL1646181

SCHEMBL1646181

O=C1c2ccccc2CC2=CC=CCC12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
ACHE P22303 2/20 0.39
CES1 P23141 2/20 0.38
BCHE P06276 1/20 0.38
CYP19A1 P11511 1/20 0.38
TDP2 O95551 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
MAP3K14 Q99558 1/20 0.35
ALDH1A1 P00352 3/20 0.33
METAP1 P53582 2/20 0.33
CYP1A2 P05177 2/20 0.33
RNASEH1 O60930 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL4668951 0.81 MAOA (0.32) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL995757 0.80 MAOA (0.33) MAOACES1BCHE
SCHEMBL9154619 0.71 MAOA (0.40) MAOAACHECES1BCHECYP19A1
SCHEMBL11802317 0.71 CYP19A1 (0.51) ACHECES1CYP19A1ALDH1A1TSHR
SCHEMBL183267 0.70 TTK (0.41) MAOACES1BCHECYP19A1TDP2
SCHEMBL11775155 0.67
SCHEMBL9786538 0.67 CYP19A1 (0.43) CYP19A1TSHRPKMMAOB
SCHEMBL3294807 0.66 ADRA1A (0.36) CYP19A1CYP1A2
SCHEMBL7650679 0.65 ACHE (0.46) MAOAACHECYP19A1METAP1MAOB
SCHEMBL18403517 0.62 MAOB (0.38) MAOACYP19A1MAOB

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
EP-3016952-B1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-05-15 EP claimed
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-12-22 US claimed
US-6127426-A ANTIALLERGIC AND -INFLAMMATORY AGENTS E.G., TREATING PSORIASIS, BLOCKED ON THE C-10 BY A NONPHENOLIC ARYLACYL OR A PHENYLALKYLIDENE GROUP; LIPOXYGENASE INHIBITORS; ANTIPROLIFERATIVE AGENTS; LOW DOSAGE; SIDE EFFECT REDUCTION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2000-10-03 US claimed
EP-0664780-B1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMA (IL) 1999-12-08 EP claimed
US-5844004-A 10-substituted 1,8-dihydroxy-9 (10H) anthracenone pharmaceuticals TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1998-12-01 US claimed
EP-0664780-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-08-02 EP claimed
WO-1995003266-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1995-02-02 WO claimed
CN-109096239-B Preparation route of 9-anthrone lactone framework compound and application of analogue thereof in antitumor aspect 中国海洋大学 2022-02-11 CN disclosed
US-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-09-14 US disclosed
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-12-22 US disclosed
WO-2011045404-A2 COMPOSITION COMPRISING AT LEAST ONE ANTHRONE DERIVATIVE AND ONE BASIFYING AGENT, AND METHOD FOR DYEING KERATINOUS FIBRES STARTING FROM THE COMPOSITION L'OREAL (FR) 2011-04-21 WO disclosed
US-20100202989-A1 METHODS FOR TREATMENT OF DERMATOLOGICAL CONDITIONS WANG BING 2010-08-12 US disclosed
US-7737179-B2 Methods for treatment of dermatological conditions J&J CONSUMER COMPANIES, INC. (US) 2010-06-15 US disclosed
US-5844004-A 10-substituted 1,8-dihydroxy-9 (10H) anthracenone pharmaceuticals TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1998-12-01 US disclosed
US-5661187-A ADMINISTERING TO TREAT AN ALLERGIC OR INFLAMMATORY CONDITION; SIDE EFFECT REDUCTION TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-08-26 US disclosed
EP-0664780-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-08-02 EP disclosed
US-5426197-A Antiinflammatory, antiallergy or antitumor agents TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1995-06-20 US disclosed
WO-1995003266-A1 10-SUBSTITUTED 1,8-DIHYDROXY-9(10H) ANTHRACENONE PHARMACEUTICALS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1995-02-02 WO disclosed
US-5340931-A Chemical intermediates for allyl or vinyl ether polymers NIPPON PAINT CO., LTD. (JP) 1994-08-23 US disclosed
EP-0333445-A2 Aromatic allene compounds and preparation thereof NIPPON PAINT CO., LTD. (JP) 1989-09-20 EP 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 (3 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-20100202989-A1 METHODS FOR TREATMENT OF DERMATOLOGICAL CONDITIONS KRT18, CUTA, TUBB1 MAOA 299/4885ACHE 692/4885CES1 1193/4885
US-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices PORCN, COASY, AAAS MAOA 2092/4885ACHE 532/4885CES1 4305/4885
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES PORCN, COASY, AAAS MAOA 2092/4885ACHE 532/4885CES1 4305/4885

“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.