SCHEMBL4304889

SCHEMBL4304889

CCCCOc1cc(OC)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
RARA P10276 1/20 0.49
RARB P10826 1/20 0.49
CNR2 P34972 1/20 0.48
PTPN11 Q06124 2/20 0.48
S1PR3 Q99500 1/20 0.48
AKR1C3 P42330 1/20 0.48

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
SCHEMBL2454085 0.97 PPARG (0.56) PPARGPPARAHDAC3HDAC1HDAC2
SCHEMBL7290141 0.94 KDM4E (0.51) PPARGPPARAHDAC3HDAC1HDAC2
SCHEMBL1750042 0.90 PTPN11 (0.57) PPARGPPARAKDM4ETHRATHRB
SCHEMBL10848345 0.89 KDM4E (0.47) PPARGPPARAHDAC3HDAC1HDAC2
SCHEMBL6043905 0.89 KDM4E (0.47) HDAC3HDAC1HDAC2KDM4EPOLB
SCHEMBL1750021 0.89 PPARG (0.61) PPARGPPARAHDAC3HDAC1HDAC2
SCHEMBL11474981 0.88 PPARG (0.50) PPARGPPARAHDAC3HDAC1HDAC2
SCHEMBL11769955 0.87 SMN1; SMN2 (0.55) KDM4EPOLBAKR1C3AKR1C2SMN1; SMN2
SCHEMBL1546492 0.87 KDM4E (0.57) KDM4EPOLBAKR1C3AKR1C2SMN1; SMN2
SCHEMBL2448097 0.86 PTPN11 (0.61) KDM4EPOLBCYSLTR2CYSLTR1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112375168-B Side chain rod-shaped polar liquid crystal polymer, preparation method thereof and application thereof in nonlinear optical field 华南理工大学 2022-03-29 CN disclosed
CN-112375168-A Side chain rod-shaped polar liquid crystal polymer, preparation method thereof and application thereof in nonlinear optical field 华南理工大学 2021-02-19 CN disclosed
CN-112342032-A Rod-like polar liquid crystal molecule, preparation method thereof and rod-like polar nematic liquid crystal 华南理工大学 2021-02-09 CN disclosed
US-20090069430-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROPHARMA, S.A. (ES) 2009-03-12 US disclosed
US-20090069430-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROPHARMA, S.A. (ES) 2009-03-12 US disclosed
US-20090069430-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROPHARMA, S.A. (ES) 2009-03-12 US disclosed
EP-1976823-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuropharma, S.A. (ES) 2008-10-08 EP disclosed
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
WO-2007068754-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROPHARMA, S.A. (ES) 2007-06-21 WO disclosed
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20090069430-A1 DIBENZENE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1B, CACNB1, CACNA1C PPARG 2459/4885PPARA 2017/4885HDAC3 4294/4885
US-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 PPARG 3664/4885PPARA 3821/4885HDAC3 624/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 PPARG 2764/4885PPARA 3286/4885HDAC3 156/4885

“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.