SCHEMBL4320104

SCHEMBL4320104

OCCOc1cccc(-c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
RECQL P46063 1/20 0.69
LTA4H P09960 1/20 0.58
BACE1 P56817 1/20 0.57
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HRH3 Q9Y5N1 5/20 0.53
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.51
GGPS1 O95749 1/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL3715239 0.94 ALDH1A1 (0.64) ALDH1A1RECQLLTA4HBACE1HDAC1
SCHEMBL30230040 0.92 ALDH1A1 (0.59) ALDH1A1RECQLLTA4HBACE1HDAC1
SCHEMBL22266169 0.92 ALDH1A1 (0.59) ALDH1A1RECQLLTA4HBACE1HDAC1
SCHEMBL25123531 0.91 ALDH1A1 (0.58) ALDH1A1RECQLLTA4HBACE1HDAC1
SCHEMBL9453041 0.89 HDAC1 (0.61) ALDH1A1RECQLLTA4HBACE1HDAC1
SCHEMBL10330870 0.87 ALDH1A1 (0.53) ALDH1A1RECQLLTA4HBACE1HDAC1
SCHEMBL7817624 0.86 GSTP1 (0.60) ALDH1A1RECQLLTA4HFFAR1FFAR4
SCHEMBL19226911 0.86 ALDH1A1 (0.65) ALDH1A1RECQLLTA4HBACE1HDAC1
SCHEMBL7642691 0.85 ALDH1A1 (0.55) ALDH1A1RECQLLTA4HBACE1HDAC1
SCHEMBL4323479 0.85 FFAR4 (0.57) ALDH1A1RECQLLTA4HBACE1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150594-A1 POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLE COMPRISING SAME 帝人株式会社 2024-07-18 WO disclosed
US-7534794-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2009-05-19 US disclosed
US-7071180-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2006-07-04 US disclosed
EP-1099692-B1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2006-05-03 EP disclosed
EP-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 EP disclosed
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2004-12-02 US disclosed
US-6737425-B1 SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS EISAI CO., LTD. (JP) 2004-05-18 US disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
US-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US disclosed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 WO disclosed
US-6476258-B1 Process for producing aryloxyacetic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-05 US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
EP-1099692-A1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2001-05-16 EP disclosed
EP-1067108-A2 Process for producing aryloxyacetic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 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 (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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A ALDH1A1 763/4885RECQL 2320/4885LTA4H 1451/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A ALDH1A1 724/4885RECQL 2293/4885LTA4H 1404/4885
US-20030073862-A1 Compounds PPARG, PPARA, PPARD ALDH1A1 383/4885RECQL 2015/4885LTA4H 2043/4885

“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.