SCHEMBL3238552

SCHEMBL3238552

COc1ccc(C(=O)I)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.70
▸ CES1 P23141 2/20 0.70
▸ CA1 P00915 6/20 0.67
▸ CA2 P00918 6/20 0.67
▸ PARP10 Q53GL7 2/20 0.64
▸ PARP1 P09874 1/20 0.64
▸ PARP2 Q9UGN5 1/20 0.64
▸ PARP4 Q9UKK3 1/20 0.64
▸ HPGD P15428 1/20 0.63
▸ PLK1 P53350 1/20 0.59
▸ MAPT P10636 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ GSK3B P49841 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ HDAC3 O15379 1/20 0.57

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
SCHEMBL20879646 0.84 CES2 (0.52) CES2CES1CA1CA2PARP10
SCHEMBL9418310 0.82 RXFP1 (0.79) CES2CES1CA1CA2PARP10
SCHEMBL557152 0.82 CES2 (1.00) CES2CES1CA1CA2PARP10
SCHEMBL51509 0.82 RXFP1 (0.79) CES2CES1CA1CA2PARP10
SCHEMBL14507040 0.82 CES2 (1.00) CES2CES1CA1CA2PARP10
SCHEMBL12341379 0.81 CES2 (0.69) CES2CES1CA1CA2PARP10
P-Anisic Acid SCHEMBL1157044 0.80 CA1 (1.00) CES2CES1CA1CA2PARP10
SCHEMBL29548151 0.80 CES2 (0.95) CES2CES1CA1CA2PARP10
SCHEMBL55537 0.80 CES2 (0.70) CES2CES1CA1CA2PARP10
P-Methoxy-Acetophenone SCHEMBL41285 0.80 MAPT (0.70) CES2CES1CA1CA2PARP10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022270628-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVE AS MEDICAL DRUG FOR TREATMENT AND/OR PREVENTION OF RS VIRUS INFECTIOUS DISEASE 国立大学法人 大分大学 2022-12-29 — — WO disclosed
US-11177450-B2 Organoelectroluminescent element, and light emission device, display device, and illumination device in which said organoelectroluminescent element is used UDC IRELAND LIMITED (IE) 2021-11-16 — — US disclosed
US-10292972-B1 Pharmaceutical composition for treating cancer and a method thereof KING ABDULAZIZ UNIVERSITY (SA) 2019-05-21 — — US disclosed
US-20190125732-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER AND A METHOD THEREOF KING ABDULAZIZ UNIVERSITY (SA) 2019-05-02 — — US disclosed
US-8394935-B2 Method for producing furanose derivative API CORPORATION (JP) 2013-03-12 — — US disclosed
US-7951950-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
US-20100298550-A1 PROCESS FOR PRODUCTION OF RIBOFURANOSE DERIVATIVES API CORPORATION (JP) 2010-11-25 — — US disclosed
EP-2210896-A1 PROCESS FOR PRODUCTION OF RIBOFURANOSE DERIVATIVES API Corporation (JP) 2010-07-28 — — EP disclosed
US-20100105890-A1 METHOD FOR PRODUCING FURANOSE DERIVATIVE API CORPORATION (JP) 2010-04-29 — — US disclosed
EP-2105445-A1 METHOD FOR PRODUCTION OF FURANOSE DERIVATIVE API Corporation (JP) 2009-09-30 — — EP disclosed
US-6730810-B2 HOMOGENOUS MIXTURE COMPRISING ACID HALIDE WITH HYDROXY CARBOXYLIC ACIDS AND ANHYDRIDE; DISCOLORATION INHIBITION HUNTSMAN PETROCHEMICAL CORPORATION 2004-05-04 — — US disclosed
US-20030120089-A1 Anhydride stabilization HUNTSMAN PETROCHEMICAL CORPORATION 2003-06-26 — — 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-20030120089-A1 Anhydride stabilization CA7, CA4, CA9 CES2 2674/4885CES1 2816/4885CA1 8/4885
US-10292972-B1 Pharmaceutical composition for treating cancer and a method thereof SYMPK, ITPA, HRAS CES2 4043/4885CES1 2082/4885CA1 372/4885
US-20190125732-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER AND A METHOD THEREOF SYMPK, ITPA, HRAS CES2 4043/4885CES1 2082/4885CA1 372/4885
US-20100298550-A1 PROCESS FOR PRODUCTION OF RIBOFURANOSE DERIVATIVES RNASEL, RPIA, RIOX2 CES2 1880/4885CES1 1639/4885CA1 1805/4885
US-20100105890-A1 METHOD FOR PRODUCING FURANOSE DERIVATIVE DERA, ALDOA, DPYD CES2 1208/4885CES1 745/4885CA1 623/4885

“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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