SCHEMBL21802480

SCHEMBL21802480

COc1cc(O)ccc1/C=C/C(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.68
▸ CTSB P07858 5/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68
▸ KDR P35968 2/20 0.64
▸ ABCB1 P08183 2/20 0.60
▸ CYP1A1 P04798 1/20 0.59
▸ CYP1B1 Q16678 1/20 0.59
▸ PTPN1 P18031 4/20 0.58
▸ CAPN1 P07384 1/20 0.55
▸ MAOB P27338 2/20 0.54
▸ TNFRSF1A P19438 1/20 0.52
▸ APP P05067 1/20 0.51

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
SCHEMBL29535965 1.00 CTSL (0.68) CTSLCTSBTDP1KDRABCB1
Echinatin SCHEMBL29466900 0.82 CTSL (1.00) CTSLCTSBTDP1CYP1A1CYP1B1
Echinatin SCHEMBL618086 0.82 CTSL (1.00) CTSLCTSBTDP1CYP1A1CYP1B1
Echinatin SCHEMBL7193984 0.82 CTSL (1.00) CTSLCTSBTDP1CYP1A1CYP1B1
SCHEMBL19782822 0.81 KDR (0.78) KDRABCB1MAOB
SCHEMBL26113846 0.79 CTSB (0.86) CTSLCTSBTDP1CYP1A1CYP1B1
SCHEMBL20340332 0.77 CTSL (0.84) CTSLCTSBTDP1CYP1A1CYP1B1
SCHEMBL20340331 0.77 CTSL (0.84) CTSLCTSBTDP1CYP1A1CYP1B1
SCHEMBL28817357 0.76 MAOB (0.62) CTSLCTSBKDRABCB1PTPN1
SCHEMBL28817356 0.76 MAOB (0.62) CTSLCTSBKDRABCB1PTPN1

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-20250376441-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT UNIV YONSEI IACF (KR) 2025-12-11 — — US disclosed
US-12447137-B2 Composition for prevention, amelioration, or treatment of cancer EWHA University—Industry Collaboration Foundation (KR) 2025-10-21 — — US disclosed
US-20220226263-A1 Composition for Prevention, Amelioration, or Treatment of Cancer CHA UNIVERSITY INDUSTRY-ACADEMIC COOOPERATION FOUNDATION (KR) 2022-07-21 — — US disclosed
EP-3977988-A1 COMPOSITION FOR PREVENTION, AMELIORATION, OR TREATMENT OF CANCER Ewha University-Industry Collaboration Foundation (KR) 2022-04-06 — — EP disclosed
WO-2020242201-A1 COMPOSITION FOR PREVENTION, AMELIORATION, OR TREATMENT OF CANCER 이화여자대학교 산학협력단 2020-12-03 — — WO disclosed
WO-2020184998-A1 COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING METABOLIC DISEASES 연세대학교 산학협력단 2020-09-17 — — WO disclosed
US-20200190024-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT CHA UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2020-06-18 — — US disclosed
US-20200190024-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT CHA UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2020-06-18 — — US disclosed
EP-3626703-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Industry-Academic Cooperation Foundation, Yonsei University (KR) 2020-03-25 — — EP 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-20200190024-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT PRKAA1, PRKAA2, PRKAG1 CTSL 3640/4885CTSB 2585/4885TDP1 1072/4885
US-20220226263-A1 Composition for Prevention, Amelioration, or Treatment of Cancer FABP2, FABP1, TSG101 CTSL 1822/4885CTSB 897/4885TDP1 3141/4885
US-20250376441-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT PRKAA1, PRKAA2, PRKAG1 CTSL 3640/4885CTSB 2585/4885TDP1 1072/4885
US-12447137-B2 Composition for prevention, amelioration, or treatment of cancer GSTO1, FABP1, GSTK1 CTSL 2353/4885CTSB 1055/4885TDP1 4666/4885

“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.

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