SCHEMBL112127

SCHEMBL112127

Cc1ccc2c(c1)N1Cc3ccc(C)cc3N(C2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.39
AADAT Q8N5Z0 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
HTR1A P08908 3/20 0.36
HTR3A P46098 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL2759894 0.83 NOTUM (0.41) HSD17B10ALDH1A1MAPTAADATSMN1; SMN2
SCHEMBL29409666 0.83 NOTUM (0.41) HSD17B10ALDH1A1MAPTAADATSMN1; SMN2
Ammonia Solution, Strong SCHEMBL18320013 0.81 NOTUM (0.40) HSD17B10ALDH1A1MAPTAADATSMN1; SMN2
SCHEMBL15303702 0.74 MAPT (0.38) HSD17B10ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL11503790 0.73 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2HPGDGAA
SCHEMBL15086076 0.73 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL23315903 0.72 HSD17B10 (0.41) HSD17B10ALDH1A1AADATHTR2AHTR2C
SCHEMBL18883951 0.71 ALDH1A1 (0.39) HSD17B10ALDH1A1MAPTAADATHTR2C
SCHEMBL18883931 0.70 NOTUM (0.41) ALDH1A1MAPTAADATSMN1; SMN2MCOLN3
SCHEMBL3420619 0.70 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746190-B2 Ethano-Tröger's base-derived diamines, polyimides, and polyimide-based membranes KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2023-09-05 US disclosed
US-11746190-B2 Ethano-Tröger's base-derived diamines, polyimides, and polyimide-based membranes KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2023-09-05 US disclosed
US-20220023804-A1 INTRINSICALLY MICROPOROUS LADDER-TYPE TRÖGER'S BASE POLYMERS UNIV KING ABDULLAH SCI & TECH (SA) 2022-01-27 US disclosed
EP-2472255-B1 SEPARATING AGENT FOR OPTICAL ISOMER DAICEL CORP (JP) 2016-05-25 EP disclosed
US-9290592-B2 Poly(diphenylacetylene) compound, preparation method therefor, and use thereof as optical isomer separating agent NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2016-03-22 US disclosed
US-9290592-B2 Poly(diphenylacetylene) compound, preparation method therefor, and use thereof as optical isomer separating agent NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2016-03-22 US disclosed
US-20150376309-A1 NEW POLY(DIPHENYLACETYLENE) COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF AS OPTICAL ISOMER SEPARATING AGENT National University Corporation Kanazawa University of Ishikawa ,Japan 2015-12-31 US disclosed
US-20150376309-A1 NEW POLY(DIPHENYLACETYLENE) COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF AS OPTICAL ISOMER SEPARATING AGENT National University Corporation Kanazawa University of Ishikawa ,Japan 2015-12-31 US disclosed
US-20150141241-A1 SEPARATING AGENT FOR OPTICAL ISOMER National University Corporation Nagoya University a corporation 2015-05-21 US disclosed
US-9028684-B2 Separating agent for optical isomer DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2015-05-12 US disclosed
US-8362237-B2 Optical-isomer separating agent for chromatography and process for producing the same NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2013-01-29 US disclosed
US-8362237-B2 Optical-isomer separating agent for chromatography and process for producing the same NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2013-01-29 US disclosed
EP-2472255-A1 SEPARATING AGENT FOR OPTICAL ISOMER Daicel Corporation (JP) 2012-07-04 EP disclosed
US-20120149851-A1 SEPARATING AGENT FOR OPTICAL ISOMERS NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-14 US disclosed
US-20120149851-A1 SEPARATING AGENT FOR OPTICAL ISOMERS NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-14 US disclosed
EP-2426492-A1 AGENT FOR RESOLUTION OF OPTICAL ISOMER Daicel Chemical Industries, Ltd. (JP) 2012-03-07 EP disclosed
US-20120007011-A1 Separating agent for optical isomer NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-01-12 US disclosed
US-20120007011-A1 Separating agent for optical isomer NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-01-12 US disclosed
US-20100292464-A1 OPTICAL-ISOMER SEPARATING AGENT FOR CHROMATOGRAPHY AND PROCESS FOR PRODUCING THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-18 US disclosed
US-20100292464-A1 OPTICAL-ISOMER SEPARATING AGENT FOR CHROMATOGRAPHY AND PROCESS FOR PRODUCING THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-18 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 (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-11746190-B2 Ethano-Tröger's base-derived diamines, polyimides, and polyimide-based membranes PARG, TRDMT1, TPR HSD17B10 4025/4885ALDH1A1 2045/4885MAPT 2078/4885
US-20100292464-A1 OPTICAL-ISOMER SEPARATING AGENT FOR CHROMATOGRAPHY AND PROCESS FOR PRODUCING THE SAME ORC3, OXER1, HCCS HSD17B10 1373/4885ALDH1A1 992/4885MAPT 2722/4885

“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.