SCHEMBL857043

SCHEMBL857043

CCC1(C(=O)O)Cc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.46
HDAC9 Q9UKV0 1/20 0.41
CXCR5 P32302 5/20 0.40
BRD4 O60885 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP8 P22894 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL31034835 1.00 MME (0.46) MMEHDAC9CXCR5BRD4NPSR1
Hydrochloric Acid SCHEMBL856898 0.98 MME (0.45) MMEHDAC9CXCR5BRD4NPSR1
SCHEMBL9526683 0.88 ATM (0.41) MME
Hydrochloric Acid SCHEMBL9527859 0.86 ATM (0.40) MME
SCHEMBL17696860 0.85 MME (0.44) MMEHDAC9CXCR5BRD4MMP8
SCHEMBL855127 0.84 MME (0.42) MMEHDAC9CXCR5BRD4NPSR1
SCHEMBL31034935 0.82 MME (0.41) MMEHDAC9CXCR5BRD4NPSR1
SCHEMBL31034910 0.82 MME (0.41) MMEHDAC9BRD4NPSR1MMP8
SCHEMBL27796327 0.82 MME (0.41) MMEHDAC9BRD4NPSR1MMP8
SCHEMBL856896 0.82 MME (0.41) MMEHDAC9CXCR5BRD4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109832-A1 RAPID CONSTRUCTION OF TETRALIN, CHROMANE, AND INDANE MOTIFS VIA CYCLATIVE C-H/C-H COUPLING: FOUR-STEP TOTAL SYNTHESIS OF (±)-RUSSUJAPONOL F NATIONAL INSTITUTES OF HEALTH 2024-04-04 US disclosed
CN-116568658-A Rapid construction of tetrahydronaphthalenes, chromanes and indane motifs via cyclized C-H/C-H couplings 斯克里普斯研究学院 2023-08-08 CN disclosed
WO-2022103752-A1 RAPID CONSTRUCTION OF TETRALIN, CHROMANE, AND INDANE MOTIFS VIA CYCLATIVE C-H/C-H COUPLING THE SCRIPPS RESEARCH INSTITUTE (US) 2022-05-19 WO disclosed
US-9682971-B2 1,2,5-Substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-9682972-B2 1,2,5-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-9265770-B2 1,2,5-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US disclosed
US-20150246052-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 US disclosed
US-9067917-B2 1,2,5-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-30 US disclosed
WO-2014151367-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO disclosed
US-8431717-B2 Process for the preparation of 5-(2-ethyl-dihydro-1H-inden-2-yl)-1H-imidazole and salts thereof JSC GRINDEKS (LV) 2013-04-30 US disclosed
EP-2225209-B1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF GRINDEKS JSC (LV) 2012-03-28 EP disclosed
US-20110028733-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF JSC GRINDEKS (LV) 2011-02-03 US disclosed
EP-2225209-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF Grindeks, a joint stock company (LV) 2010-09-08 EP disclosed
WO-2009071584-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF GRINDEKS, A JOINT STOCK COMPANY (LV) 2009-06-11 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 (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-20150246052-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, CYP3A5 MME 4819/4885HDAC9 1817/4885CXCR5 355/4885
US-20110028733-A1 PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF CYP3A5, CYP3A4, IPO5 MME 1522/4885HDAC9 3374/4885CXCR5 930/4885
US-20240109832-A1 RAPID CONSTRUCTION OF TETRALIN, CHROMANE, AND INDANE MOTIFS VIA CYCLATIVE C-H/C-H COUPLING: FOUR-STEP TOTAL SYNTHESIS OF (±)-RUSSUJAPONOL F HCCS, TAC3, CTRC MME 4850/4885HDAC9 3285/4885CXCR5 1239/4885

“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.