SCHEMBL950906

SCHEMBL950906

O=C(O)C1CC2C=CC1O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.36
SLC1A2 P43004 3/20 0.33
GRM2 Q14416 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
GRM5 P41594 1/20 0.33
PMP22 Q01453 1/20 0.33
GRM1 Q13255 1/20 0.33
GRM3 Q14832 1/20 0.33
GRM4 Q14833 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC1A1 P43005 2/20 0.32
GABRR2 P28476 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL3465515 1.00 GABRR1 (0.36) GABRR1SLC1A2GRM2CYP2C9CYP2C19
SCHEMBL13209239 1.00 GABRR1 (0.36) GABRR1SLC1A2GRM2CYP2C9CYP2C19
SCHEMBL3464490 1.00 GABRR1 (0.36) GABRR1SLC1A2GRM2CYP2C9CYP2C19
SCHEMBL2296098 1.00 GABRR1 (0.36) GABRR1SLC1A2GRM2CYP2C9CYP2C19
SCHEMBL3464832 1.00 GABRR1 (0.36) GABRR1SLC1A2GRM2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL949715 0.98 GABRR1 (0.34) GABRR1SLC1A2GRM2CYP2C9CYP2C19
SCHEMBL949713 0.83
SCHEMBL13795027 0.83
SCHEMBL17662660 0.81
SCHEMBL10958962 0.78 KDM4E (0.43) LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718755-B2 Methods for coproduction of terephthalic acid and styrene from ethylene oxide NOVOMER, INC. (US) 2017-08-01 US claimed
US-20170001939-A1 METHODS FOR COPRODUCTION OF TEREPHTHALIC ACID AND STYRENE FROM ETHYLENE OXIDE NOVOMER, INC. 2017-01-05 US claimed
WO-2017004441-A2 METHODS FOR COPRODUCTION OF TEREPHTHALIC ACID AND STYRENE FROM ETHYLENE OXIDE Novomer, Inc (US) 2017-01-05 WO claimed
EP-2054465-B1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION (GB) 2012-07-11 EP claimed
US-6677464-B2 REACTING ALPHA, BETA-UNSATURATED CARBOXYLIC ACID WITH FURAN DERIVATIVE IN PRESENCE OF LEWIS ACID KURARAY CO., LTD. (JP) 2004-01-13 US claimed
US-20030187282-A1 PROCESS FOR PREPARATION OF 7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID DERIVATIVES KURARAY CO., LTD. (JP) 2003-10-02 US claimed
EP-1319662-A1 PROCESS FOR PREPARATION OF 7-OXABICYCLO 2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID DERIVATIVES Kuraray Co., Ltd. (JP) 2003-06-18 EP claimed
US-20230167141-A1 PSILOCIN DERIVATIVES AS SEROTONERGIC PSYCHEDELIC AGENTS FOR THE TREATMENT OF CNS DISORDERS MINDSET PHARMA INC. (CA) 2023-06-01 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20180186807-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN BIOPHARMA CREDIT PLC (GB) 2018-07-05 US disclosed
US-6291131-B1 ADDITION POLYMERIZATION OF MONOMERS TO FORM PHOTORESISTS COPOLYMER HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2001-09-18 US disclosed
US-5641784-A ADENOSINE ANTAGONISTS; TREATMENT OF NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1997-06-24 US disclosed
EP-0593433-A1 HERBICIDAL OXABICYCLO ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-04-27 EP disclosed
US-5234900-A Herbicidal oxabicyclo ethers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-10 US disclosed
EP-0487673-A1 NEW XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1992-06-03 EP disclosed
WO-1992000297-A1 NEW XANTHINE DERIVATIVES BOEHRINGER INGELHEIM KG (DE) 1992-01-09 WO disclosed
WO-1991003464-A1 HERBICIDAL OXABICYCLO ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-21 WO 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-20030187282-A1 PROCESS FOR PREPARATION OF 7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID DERIVATIVES ALOX5, ALOX15B, ALOX15 GABRR1 3004/4885SLC1A2 2041/4885GRM2 992/4885
US-20170001939-A1 METHODS FOR COPRODUCTION OF TEREPHTHALIC ACID AND STYRENE FROM ETHYLENE OXIDE FASN, CYP2E1, SCD GABRR1 2089/4885SLC1A2 3121/4885GRM2 3440/4885
US-20180186807-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB GABRR1 1979/4885SLC1A2 4475/4885GRM2 4536/4885
US-20230167141-A1 PSILOCIN DERIVATIVES AS SEROTONERGIC PSYCHEDELIC AGENTS FOR THE TREATMENT OF CNS DISORDERS HTR1A, HTR6, HTR1B GABRR1 1115/4885SLC1A2 100/4885GRM2 443/4885

“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.