SCHEMBL8344968

SCHEMBL8344968

CC(C)CCOc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 11/20 0.64
NR2E1 Q9Y466 2/20 0.62
HTR1D P28221 2/20 0.60
SLC6A4 P31645 2/20 0.58
HRH1 P35367 1/20 0.58
KCNA3 P22001 1/20 0.57
MCHR1 Q99705 1/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL27265895 0.98 HTR1B (0.62) HTR1BNR2E1HTR1DSLC6A4HRH1
SCHEMBL17286559 0.91 HTR1B (0.65) HTR1BNR2E1HTR1DSLC6A4HRH1
SCHEMBL29802707 0.85 HTT (0.53) HTR1BNR2E1HTR1DMCHR1
SCHEMBL17912800 0.85 HTT (0.51) HTR1BNR2E1HTR1DSLC6A4HRH1
1,2-Diisopentoxybenzene SCHEMBL2843498 0.82 HTT (0.62) MCHR1KDM4EALDH1A1
SCHEMBL5289923 0.82 HTR1B (0.77) HTR1BNR2E1HTR1DSLC6A4HRH1
SCHEMBL28717946 0.82 HTR1B (0.61) HTR1BNR2E1HTR1DSLC6A4HRH1
SCHEMBL29276738 0.82 HTT (0.51) HTR1BNR2E1HTR1DSLC6A4HRH1
SCHEMBL29829725 0.81 NR2E1 (0.64) HTR1BNR2E1HTR1DSLC6A4KDM4E
SCHEMBL5031818 0.81 NR2E1 (0.64) HTR1BNR2E1HTR1DSLC6A4KDM4E

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
CN-117063121-A Photosensitive film, photosensitive element, and method for producing laminate 株式会社力森诺科 2023-11-14 CN disclosed
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-09-19 US disclosed
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-09-19 US disclosed
US-20200299285-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2020-09-24 US disclosed
CN-106137862-B Composition and cosmetics containing nano Chinese angelica 南京谷润生物科技有限公司 2019-03-08 CN disclosed
CN-106137862-A Composition containing nano Chinese angelica and cosmetics 南京谷润生物科技有限公司 2016-11-23 CN disclosed
US-7205336-B2 β-secretase inhibitors MERCK & CO., INC. (US) 2007-04-17 US disclosed
US-7205336-B2 β-secretase inhibitors MERCK & CO., INC. (US) 2007-04-17 US disclosed
WO-2003099202-A2 BETA-SECRETASE INHIBITORS MERCK & CO., INC. (US) 2003-12-04 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-20200299285-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS MCL1, BCLAF1, BCL2A1 HTR1B 2547/4885NR2E1 1489/4885HTR1D 2386/4885
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors MCL1, BCLAF1, BCL2A1 HTR1B 2547/4885NR2E1 1489/4885HTR1D 2386/4885

“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.