SCHEMBL344965

SCHEMBL344965

CCCC(O)c1ccc2c(C(=O)O)cccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
CDC25B P30305 3/20 0.42
AKR1B1 P15121 1/20 0.41
TBXAS1 P24557 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TACR3 P29371 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LTB4R Q15722 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL343404 0.92 PTPN1 (0.49) PTPN1NR4A1NR4A2NR4A3HDAC1
SCHEMBL344331 0.85 PDE4B (0.41) HDAC1HDAC8KDM4EALDH1A1HPGD
SCHEMBL21880321 0.79 PTPN1 (0.60) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL344578 0.78 HDAC1 (0.43) HDAC1HDAC8LTB4RALDH1A1HPGD
SCHEMBL12473662 0.77 CYP1A2 (0.55) AKR1B1HDAC1HDAC8ALDH1A1HSD17B10
SCHEMBL6055328 0.74 MEN1 (0.58) HDAC1HDAC8MEN1KMT2A
SCHEMBL343405 0.74 PTPN1 (0.57) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL28511670 0.74 RARB (0.46) LTB4RALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28511668 0.74 RARB (0.46) LTB4RALDH1A1HSD17B10MEN1KMT2A
SCHEMBL345159 0.73 PTPN1 (0.60) PTPN1NR4A1NR4A2NR4A3CDC25B

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 3624/4885NR4A1 1808/4885NR4A2 1498/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PTPN1 3624/4885NR4A1 1808/4885NR4A2 1498/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PTPN1 3624/4885NR4A1 1808/4885NR4A2 1498/4885

“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.