SCHEMBL2601260

SCHEMBL2601260

COC(=O)C(=O)c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.61
CA2 P00918 8/20 0.61
CA12 O43570 5/20 0.61
CA7 P43166 5/20 0.61
CA9 Q16790 5/20 0.61
CA14 Q9ULX7 5/20 0.61
CPT1B Q92523 1/20 0.54
CES2 O00748 2/20 0.52
ESR1 P03372 3/20 0.48
LMNA P02545 2/20 0.48
ESR2 Q92731 2/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
CES1 P23141 1/20 0.46
TYR P14679 2/20 0.46
CA3 P07451 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL3757531 0.82 CES2 (0.65) CES2LMNAMAPTPKMHPGD
SCHEMBL2440560 0.82 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL28450705 0.82 MAPT (0.52) CES2LMNAMAPTHPGDHTT
SCHEMBL4587615 0.82 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL8900283 0.80 LMNA (0.47) CES2LMNAMAPTPKMHPGD
SCHEMBL836180 0.80 CES2 (0.62) CA1CA2CES2LMNAMAPT
SCHEMBL1943728 0.80 HPGD (0.56) CA1CA2CES2MAPTHPGD
SCHEMBL12558164 0.80 MAPK13 (0.45) CES2MAPTHPGDHTTCES1
SCHEMBL2706993 0.80 CES2 (0.62) CA1CA2CES2LMNAMAPT
SCHEMBL2122107 0.80 CES2 (0.75) CA1CA2CES2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12497364-B2 Compound for the determination of the protein FKBP12 and a sensor unit comprising it UNIVERSITA DEGLI STUDI DI FIRENZE (IT) 2025-12-16 US disclosed
WO-2025061176-A1 CYCLOALKANE-SUBSTITUTED AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海科技大学 2025-03-27 WO disclosed
CN-119661404-A Cycloalkane substituted amine derivative, preparation method and application thereof 上海科技大学 2025-03-21 CN disclosed
US-20230033380-A1 A COMPOUND FOR THE DETERMINATION OF THE PROTEIN FKBP12 AND A SENSOR UNIT COMPRISING IT UNIVERSITA DEGLI STUDI DI FIRENZE (IT) 2023-02-02 US disclosed
WO-2021124269-A1 A COMPOUND FOR THE DETERMINATION OF THE PROTEIN FKBP12 AND A SENSOR UNIT COMPRISING IT UNIVERSITÀ DEGLI STUDI DI FIRENZE (IT) 2021-06-24 WO disclosed
US-20210095074-A1 POLYOXAZOLIN WITH A PHOTOACTIVATABLE GROUP BASF SE (DE) 2021-04-01 US disclosed
EP-3649182-A1 POLYOXAZOLIN WITH A PHOTOACTIVATABLE GROUP BASF SE (DE) 2020-05-13 EP disclosed
WO-2019007803-A1 POLYOXAZOLIN WITH A PHOTOACTIVATABLE GROUP BASF SE (DE) 2019-01-10 WO disclosed
US-20140206671-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-24 US disclosed
US-20130090331-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
EP-0414078-B1 Disubstituted (quinolin-2-yl-methoxy)-phenylacetic acid derivatives BAYER AG (DE) 1994-06-01 EP disclosed
CN-1072677-A Aromatic amidine derivative and salt thereof DAIICHI SEIYAKU CO (JP) 1993-06-02 CN disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed
US-5126354-A LEUKOTRIENE SYNTHESIS-INHIBITING DISUBSTITUTED (QUINOLIN-2-YL-METHOXY) PHENYLACETIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed
EP-0414078-A2 Disubstituted (quinolin-2-yl-methoxy)-phenylacetic acid derivatives BAYER AG (DE) 1991-02-27 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-20130090331-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 CA1 4802/4885CA2 4066/4885CA12 4716/4885
US-12497364-B2 Compound for the determination of the protein FKBP12 and a sensor unit comprising it FKBP14, FKBP5, FKBP1A CA1 169/4885CA2 1831/4885CA12 181/4885
US-20230033380-A1 A COMPOUND FOR THE DETERMINATION OF THE PROTEIN FKBP12 AND A SENSOR UNIT COMPRISING IT FKBP14, FKBP1A, FKBP5 CA1 231/4885CA2 2204/4885CA12 247/4885
US-20140206671-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 CA1 4802/4885CA2 4066/4885CA12 4716/4885

“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.