SCHEMBL87637

SCHEMBL87637

[CH2]c1ccccc1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.57
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ESR1 P03372 1/20 0.57
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
HMGB1 P09429 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
GGT1 P19440 1/20 0.57
PTGS1 P23219 1/20 0.57
BLM P54132 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 2/20 0.47
ACHE P22303 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
Ethylene SCHEMBL28225928 0.84 PTGS2 (0.63) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL338196 0.84 PTGS2 (0.68) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL29432883 0.84 PTGS2 (0.68) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL3742376 0.83 PTGS2 (0.57) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL11269983 0.82 MAPK1 (0.61) PTGS2KDM4EHSD17B10ALDH1A1ESR1
Iodide SCHEMBL30619798 0.81 PTGS2 (0.65) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL8926560 0.79 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL8926773 0.78 KMT2A (0.43) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL6623023 0.78 ELANE (0.46) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL8927620 0.78 NCEH1 (0.51) ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4178959-A1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2023-05-17 EP claimed
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2023-05-09 US claimed
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 CN claimed
EP-3615535-B1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS UNIV PALACKEHO (CZ) 2022-06-15 EP claimed
WO-2022012702-A1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2022-01-20 WO claimed
US-20200157105-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-05-21 US claimed
EP-3615535-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS Univerzita Palackého v Olomouci (CZ) 2020-03-04 EP claimed
WO-2018196893-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2018-11-01 WO claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US claimed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US claimed
WO-1994022840-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 WO claimed
EP-0594588-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1994-05-04 EP claimed
US-5210315-A Oxidizing olefins using a ruthenium catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-05-11 US claimed
EP-0358398-B1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1993-03-10 EP claimed
WO-1991013054-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1991-09-05 WO claimed
EP-0358398-A1 Cycloalkyl-substituted glutaramide antihypertensive agents Pfizer Limited (GB) 1990-03-14 EP claimed
EP-0143399-B1 CYSTEINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSTIONS WHICH CONTAIN THEM MAGIS FARMACEUTICI S.P.A. (IT) 1988-07-06 EP claimed
EP-0257344-A1 Medicaments containing dipyridamol or mopidamol and O-acetylsalicylic acid, or its physiologically compatible salts, process for their manufacture and their use in combating the formation of thrombus Dr. Karl Thomae GmbH (DE) 1988-03-02 EP claimed
US-4687844-A Process for the direct preparation of N,N-disubstituted derivatives for 4,13-diaza-18-crown-6 UNIVERSITY OF MARYLAND (US) 1987-08-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20200157105-A1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS ADORA2A, UNG, P2RY6 PTGS2 472/4885KDM4E 1335/4885HSD17B10 3638/4885
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders ADORA2A, UNG, P2RY6 PTGS2 472/4885KDM4E 1335/4885HSD17B10 3638/4885
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 PTGS2 3308/4885KDM4E 2236/4885HSD17B10 3738/4885

“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.