SCHEMBL4659202

SCHEMBL4659202

c1ccc2c[n+]3ccc4ccccc4c3cc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HIF1A Q16665 2/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAD52 P43351 1/20 0.36
HPRT1 P00492 1/20 0.34
ACHE P22303 6/20 0.34
BCHE P06276 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL31612244 1.00 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Hydrochloric Acid SCHEMBL7822399 0.98 ALDH1A1 (0.36) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL11722926 0.79 CYP1A2 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CYP3A4
Hydrochloric Acid SCHEMBL11721589 0.78 CYP1A2 (0.48) CYP3A4MAPTCYP1A2
Bromide SCHEMBL11727587 0.78 CYP1A2 (0.48) ALDH1A1CYP3A4MAPTCYP1A2ACHE
Bromide SCHEMBL11725158 0.76 PTPN22 (0.51) ALDH1A1HSD17B10HIF1ACYP1B1CYP3A4
Bromide SCHEMBL11728184 0.76 NQO2 (0.50) ALDH1A1CYP3A4MAPTCYP1A2
SCHEMBL27734270 0.76 BCL2L1 (0.40) ALDH1A1HSD17B10TSHRTDP1HIF1A
SCHEMBL29480988 0.76 BCL2L1 (0.40) ALDH1A1HSD17B10TSHRTDP1HIF1A
Bromide SCHEMBL11723738 0.75 CYP1A2 (0.41) ALDH1A1HSD17B10MAPTTP53CYP1A2

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-4042592-A ANTISARCOMA GROWTH KANEBO, LTD. (JA) 1977-08-16 US claimed
US-20230172916-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME ELEONOR (BE) 2023-06-08 US disclosed
US-20230172916-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME ELEONOR (BE) 2023-06-08 US disclosed
US-20230024933-A1 TREATMENT OF ABERRANT FIBROBLAST PROLIFERATION GEORG-AUGUST-UNIVERSITAET GOETTINGEN STIFTUNG OEFFENLICHEN RECHTS, UNIVERSITAETSMEDIZIN (DE) 2023-01-26 US disclosed
EP-4055164-A1 TREATMENT OF ABERRANT FIBROBLAST PROLIFERATION Georg-August-Universitaet Goettingen Stiftung Oeffentlichen Rechts, Universitaetsmedizin (DE) 2022-09-14 EP disclosed
US-11331333-B2 Treatment of aberrant fibroblast proliferation Georg-August-Universität Göttingen Stiftung Öffentichen Rechts, Universitätsmadizin (DE) 2022-05-17 US disclosed
US-20210137963-A1 TREATMENT OF ABERRANT FIBROBLAST PROLIFERATION GEORG-AUGUST-UNIVERSITAET GOETTINGEN STIFTUNG OEFFENLICHEN RECHTS, UNIVERSITAETSMEDIZIN (DE) 2021-05-13 US disclosed
US-20110015137-A1 RECA INHIBITORS AND THEIR USES AS MICROBIAL INHIBITORS OR POTENTIATORS OF ANTIBIOTIC ACTIVITY TRUSTEES OF BOSTON UNIVERSITY (US) 2011-01-20 US disclosed
EP-2004847-A2 OLIGONUCLEOTIDES COMPRISING SIGNALLING PAIRS AND HYDROPHOBIC NUCLEOTIDES, STEMLESS BEACONS, FOR DETECTION OF NUCLEIC ACIDS, METHYLATION STATUS AND MUTANTS OF NUCLEIC ACIDS Pentabase Aps (DK) 2008-12-24 EP disclosed
WO-2007104318-A2 OLIGONUCLEOTIDES COMPRISING SIGNALLING PAIRS AND HYDROPHOBIC NUCLEOTIDES, STEMLESS BEACONS, FOR DETECTION OF NUCLEIC ACIDS, METHYLATION STATUS AND MUTANTS OF NUCLEIC ACIDS PENTABASE APS (DK) 2007-09-20 WO disclosed
EP-1140930-A1 DIBENZO a,g]QUINOLIZINIUM DERIVATIVES AND THE SALTS THEREOF HANWHA CHEMICAL CORPORATION (KR) 2001-10-10 EP disclosed
EP-0888346-B1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS UNIV RUTGERS (US) 2001-06-06 EP disclosed
WO-2000037468-A1 DIBENZO[a,g]QUINOLIZINIUM DERIVATIVES AND THE SALTS THEREOF HANWHA CHEMICAL CORPORATION (KR) 2000-06-29 WO disclosed
US-6030979-A INHIBITS THE STEROL 14-REDUCTASE WHICH CATALYZES THE BIOSYNTHESIS OF CHOLESTEROL FROM LANOSTEROL; ANTICHOLESTEROL AND-LIPEMIC AGENTS HANWHA CORPORATION (CN) 2000-02-29 US disclosed
US-6028197-A ENZYME INHIBITORS INHIBITING THE STEROL 14-REDUCTASE WHICH IS INVOLVED IN THE DISTAL PATHWAY OF CHOLESTEROL BIOSYNTHESIS, AND THE USE AS ANTICHOLESTEROL AGENTS OR ANTILIPEMIC AGENTS HANWHA CORPORATION (KR) 2000-02-22 US disclosed
US-6028197-A ENZYME INHIBITORS INHIBITING THE STEROL 14-REDUCTASE WHICH IS INVOLVED IN THE DISTAL PATHWAY OF CHOLESTEROL BIOSYNTHESIS, AND THE USE AS ANTICHOLESTEROL AGENTS OR ANTILIPEMIC AGENTS HANWHA CORPORATION (KR) 2000-02-22 US disclosed
EP-0888346-A1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-01-07 EP disclosed
WO-1997029106-A1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1997-08-14 WO disclosed
US-4042592-A ANTISARCOMA GROWTH KANEBO, LTD. (JA) 1977-08-16 US disclosed
US-4042592-A ANTISARCOMA GROWTH KANEBO, LTD. (JA) 1977-08-16 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 (5 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-20110015137-A1 RECA INHIBITORS AND THEIR USES AS MICROBIAL INHIBITORS OR POTENTIATORS OF ANTIBIOTIC ACTIVITY CGAS, RPIA, CLPP ALDH1A1 4007/4885HSD17B10 4274/4885CYP2A6 2644/4885
US-20230024933-A1 TREATMENT OF ABERRANT FIBROBLAST PROLIFERATION EYA2, EYA3, PTP4A1 ALDH1A1 1222/4885HSD17B10 3826/4885CYP2A6 4212/4885
US-20210137963-A1 TREATMENT OF ABERRANT FIBROBLAST PROLIFERATION EYA2, EYA3, PTP4A1 ALDH1A1 1222/4885HSD17B10 3826/4885CYP2A6 4212/4885
US-11331333-B2 Treatment of aberrant fibroblast proliferation EYA2, EYA3, PTP4A1 ALDH1A1 1222/4885HSD17B10 3826/4885CYP2A6 4212/4885
US-20230172916-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME MANBA, CROCC, MAN2A1 ALDH1A1 3271/4885HSD17B10 2328/4885CYP2A6 3570/4885

“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.