SCHEMBL9911358

SCHEMBL9911358

CC(C)Cc1cccc2occc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
EED O75530 3/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
FTO Q9C0B1 1/20 0.38
KCNA3 P22001 1/20 0.38
OPRM1 P35372 3/20 0.36
OPRK1 P41145 3/20 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
SCHEMBL5987863 0.85 HTR2A (0.44) EEDMTNR1AMTNR1BMAOA
SCHEMBL30401257 0.85 HTR2A (0.44) EEDMTNR1AMTNR1BMAOA
Hydrochloric Acid SCHEMBL5987923 0.84 HTR2A (0.43) EEDMAOA
SCHEMBL957263 0.80 EED (0.46) EEDMTNR1AMTNR1BMAOAMAOB
SCHEMBL3794946 0.80 MTNR1A (0.51) GABRA1GABRB2EEDMTNR1AMTNR1B
SCHEMBL9911545 0.78 MTNR1A (0.47) EEDMTNR1AMTNR1BMAOAMAOB
SCHEMBL827046 0.77 PSMB5 (0.52) MAOB
SCHEMBL3793134 0.77 MTNR1A (0.49) EEDMTNR1AMTNR1BMAOAMAOB
SCHEMBL23527437 0.77 GABRA1 (0.62) GABRA1GABRB2MAOA
SCHEMBL2095736 0.76 EED (0.46) EEDMTNR1AMTNR1BMAOAMAOB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024294-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OR PREVENTION OF PRETERM LABOR XOMA (US) LLC 2024-01-25 US disclosed
WO-2023145923-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION FOR NANOIMPRINTING 日産化学株式会社 2023-08-03 WO disclosed
WO-2023088167-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2023-05-25 WO disclosed
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-06-09 US disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US 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-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR GABRA1 285/4885GABRB2 262/4885EED 4103/4885
US-20240024294-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OR PREVENTION OF PRETERM LABOR PGF, PTGS1, PTGIR GABRA1 1076/4885GABRB2 477/4885EED 4728/4885
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 GABRA1 2703/4885GABRB2 3492/4885EED 4771/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E GABRA1 4309/4885GABRB2 4617/4885EED 3746/4885

“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.