SCHEMBL2588646

SCHEMBL2588646

COc1c(Br)cc(C=O)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ TTR P02766 1/20 0.47
▸ INSR P06213 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ PRKDC P78527 1/20 0.45
▸ TUBB1 Q9H4B7 4/20 0.43
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 0.43
▸ TUBA1B P68363 2/20 0.43
▸ TUBA4A P68366 2/20 0.43
▸ TUBB4B P68371 2/20 0.43
▸ TUBB3 Q13509 2/20 0.43
▸ TUBB2A Q13885 2/20 0.43
▸ TUBB8 Q3ZCM7 2/20 0.43

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
SCHEMBL12552993 0.88 SRC (0.49) MAPTHPGDALDH1A1MAPK1TTR
SCHEMBL30122857 0.88 ALDH1A1 (0.63) MAPTHPGDALDH1A1MAPK1PRKDC
SCHEMBL524712 0.88 ALDH1A1 (0.63) MAPTHPGDALDH1A1MAPK1PRKDC
SCHEMBL13429946 0.86 ALDH1A1 (0.47) MAPTHPGDALDH1A1MAPK1TTR
SCHEMBL31132205 0.86 TPMT (0.54) MAPTHPGDALDH1A1MAPK1CA2
SCHEMBL5759025 0.86 ALDH1A1 (0.47) MAPTHPGDALDH1A1MAPK1TTR
SCHEMBL2807788 0.86 TPMT (0.54) MAPTHPGDALDH1A1MAPK1CA2
SCHEMBL31063093 0.86 ALDH1A1 (0.47) MAPTHPGDALDH1A1MAPK1TTR
SCHEMBL14958356 0.86 ALDH1A1 (0.61) MAPTHPGDALDH1A1MAPK1PRKDC
SCHEMBL31063149 0.86 ALDH1A1 (0.47) MAPTHPGDALDH1A1MAPK1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183365-B2 Synthetic method for ceratamine A and B and analogs thereof THE OHIO STATE UNIVERSITY (US) 2012-05-22 — — US claimed
US-20100234588-A1 SYNTHETIC METHOD FOR CERATAMINE A AND B AND ANALOGS THEREOF THE OHIO STATE UNIVERSITY (US) 2010-09-16 — — US claimed
US-20260109674-A1 ALLOSTERIC MODULATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR EFFICACY THE UNIVERSITY OF TOLEDO (US) 2026-04-23 — — US disclosed
US-20250179059-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-06-05 — — US disclosed
US-12162870-B2 Anticancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-10 — — US disclosed
CN-116621897-B Scopolamine derivatives, preparation method and medical application thereof 中国药科大学 2024-07-09 — — CN disclosed
WO-2024102245-A1 ALLOSTERIC MODULATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR EFFICACY THE UNIVERSITY OF TOLEDO (US) 2024-05-16 — — WO disclosed
EP-4351560-A1 ANTICANCER COMPOUNDS The Regents of the University of California (US) 2024-04-17 — — EP disclosed
CN-117794525-A Anticancer compounds 加利福尼亚大学董事会 2024-03-29 — — CN disclosed
CN-114539249-B Podophyllotoxin derivative tubulin inhibitor, and preparation method and medical application thereof 中国药科大学 2024-01-26 — — CN disclosed
CN-116621897-A Scopolamine derivatives, preparation method and medical application thereof 中国药科大学 2023-08-22 — — CN disclosed
EP-2566851-A1 COMBRETASTATIN ANALOGS FOR USE IN THE TREATMENT OF CANCER Universität Bayreuth (DE) 2013-03-13 — — EP disclosed
US-8183365-B2 Synthetic method for ceratamine A and B and analogs thereof THE OHIO STATE UNIVERSITY (US) 2012-05-22 — — US disclosed
WO-2011138409-A1 COMBRETASTATIN ANALOGS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÄT BAYREUTH (DE) 2011-11-10 — — WO disclosed
CN-101240166-B Bromobenzothiazoles luminous agent and preparation method thereof UNIV JIANGNAN 2010-09-29 — — CN disclosed
US-20100234588-A1 SYNTHETIC METHOD FOR CERATAMINE A AND B AND ANALOGS THEREOF THE OHIO STATE UNIVERSITY (US) 2010-09-16 — — US disclosed
CN-101240166-A Bromobenzothiazoles luminous agent and preparation method thereof UNIV JIANGNAN (CN) 2008-08-13 — — CN disclosed
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 — — US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 — — US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 — — 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 (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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM MAPT 4800/4885HPGD 4399/4885ALDH1A1 2470/4885
US-20250179059-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA MAPT 2666/4885HPGD 3850/4885ALDH1A1 3346/4885
US-20100234588-A1 SYNTHETIC METHOD FOR CERATAMINE A AND B AND ANALOGS THEREOF NR0B2, NR2C2, HRH3 MAPT 4863/4885HPGD 2140/4885ALDH1A1 1875/4885
US-20260109674-A1 ALLOSTERIC MODULATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR EFFICACY CHRM5, CHRM3, CHRNA3 MAPT 621/4885HPGD 3634/4885ALDH1A1 2558/4885
US-12162870-B2 Anticancer compounds BET1, BRD4, BICRA MAPT 2666/4885HPGD 3850/4885ALDH1A1 3346/4885

“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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