SCHEMBL343404

SCHEMBL343404

CCCCCC(O)c1ccc2c(C(=O)O)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
LTB4R Q15722 8/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TACR3 P29371 1/20 0.41
CYP2C9 P11712 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL344965 0.92 PTPN1 (0.51) PTPN1LTB4RNR4A1NR4A2NR4A3
SCHEMBL344578 0.86 HDAC1 (0.43) LTB4RALDH1A1HDAC1HDAC8CYP2C9
SCHEMBL344331 0.78 PDE4B (0.41) ALDH1A1HDAC1HDAC8
SCHEMBL21880321 0.77 PTPN1 (0.60) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL344105 0.77 KAT8 (0.57) PTPN1NR4A1NR4A2NR4A3
SCHEMBL10031663 0.77 MAPK1 (0.48) MAPK1
SCHEMBL344421 0.76 PPARA (0.59) PTPN1
SCHEMBL344535 0.76 PPARA (0.59) PTPN1
SCHEMBL4912776 0.75 HDAC1 (0.58) LTB4RALDH1A1HDAC1HDAC8CYP2C9
SCHEMBL10727511 0.75 KAT8 (0.58) LTB4RALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
WO-2012003145-A2 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-05 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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PTPN1 3624/4885LTB4R 471/4885NR4A1 1808/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PTPN1 3624/4885LTB4R 471/4885NR4A1 1808/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PTPN1 3624/4885LTB4R 471/4885NR4A1 1808/4885

“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.