SCHEMBL8879310

SCHEMBL8879310

O=C1c2cccc3cccc(c23)C(=O)N1CCCCBr

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 6/20 0.71
HEXB P07686 6/20 0.71
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
POLB P06746 2/20 0.63
NR1I2 O75469 1/20 0.63
AHR P35869 1/20 0.63
RAD52 P43351 1/20 0.63
RCE1 Q9Y256 1/20 0.63
SIRT1 Q96EB6 3/20 0.61
OGA O60502 1/20 0.61
CYP3A4 P08684 1/20 0.60
NFKB1 P19838 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 3/20 0.59
HDAC3 O15379 1/20 0.59
LTA4H P09960 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59

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
SCHEMBL11632858 0.98 HEXA (0.69) HEXAHEXBKMT2AMEN1POLB
SCHEMBL5357375 0.98 HEXA (0.69) HEXAHEXBKMT2AMEN1POLB
SCHEMBL8879380 0.95 HEXA (0.71) HEXAHEXBKMT2AMEN1POLB
SCHEMBL9626265 0.91 HEXA (0.83) HEXAHEXBKMT2AMEN1POLB
SCHEMBL9625779 0.90 HEXA (0.81) HEXAHEXBKMT2AMEN1POLB
SCHEMBL9625395 0.90 HEXA (0.81) HEXAHEXBKMT2AMEN1POLB
SCHEMBL9625535 0.90 HEXA (0.81) HEXAHEXBKMT2AMEN1POLB
SCHEMBL9625518 0.90 HEXA (0.81) HEXAHEXBKMT2AMEN1POLB
SCHEMBL24991893 0.89 HPGD (0.60) HEXAHEXBALDH1A1SMN1; SMN2HPGD
SCHEMBL10396736 0.88 HEXA (0.69) HEXAHEXBKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020011228-A1 A BIFUNCTIONAL AGGREGATION-INDUCED EMISSION LUMINOGEN FOR MONITORING AND KILLING OF MULTIDRUG-RESISTANT BACTERIA THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-01-16 WO disclosed
US-20180189460-A1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES UNIV TENNESSEE RES FOUND (US) 2018-07-05 US disclosed
EP-2887939-B1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES UNIV TENNESSEE RES FOUND (US) 2018-04-11 EP disclosed
EP-2887939-B1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES UNIV TENNESSEE RES FOUND (US) 2018-04-11 EP disclosed
EP-2887939-A1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES University of Tennessee Research Foundation (US) 2015-07-01 EP disclosed
US-9056835-B2 LPA2 receptor-specific benzoic acid derivatives THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2015-06-16 US disclosed
US-20140206714-A1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-07-24 US disclosed
US-20140206714-A1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-07-24 US disclosed
WO-2014036038-A1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-03-06 WO disclosed
US-20140057936-A1 LPA2 Receptor-Specific Benzoic Acid Derivatives UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-02-27 US disclosed
WO-1997046525-A1 5-ALKOXY-TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR AGONISTS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-12-11 WO disclosed
US-5654431-A EXHIBIT SELECTIVITY TOWARDS 5-HYDROXYTRYPTAMINE RECEPTORS OF BRAIN CELLS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-08-05 US disclosed
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 US disclosed
US-3996362-A ANTIDEPRESSANTS, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-12-07 US disclosed
US-3996363-A ANTIDEPRESSANT, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-12-07 US disclosed
US-3959286-A ANTIDEPRESSANTS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-05-25 US disclosed
US-3947452-A ANTIDEPRESSANT, ANTIANXIETY, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-03-30 US disclosed
US-3940398-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-02-24 US disclosed
US-3940397-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-02-24 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 (2 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-20140057936-A1 LPA2 Receptor-Specific Benzoic Acid Derivatives LPAR2, LPAR1, LPAR3 HEXA 3799/4885HEXB 3868/4885KMT2A 2065/4885
US-20140206714-A1 LPA2 RECEPTOR-SPECIFIC BENZOIC ACID DERIVATIVES LPAR2, LPAR1, LPAR4 HEXA 3636/4885HEXB 3780/4885KMT2A 2075/4885

“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.