SCHEMBL2295446

SCHEMBL2295446

CC(CCC(=O)O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.51
CPA3 P15088 1/20 0.49
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KEAP1 Q14145 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
LTA4H P09960 2/20 0.44
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL4498012 0.90 HDAC2 (0.49) FOLH1CPA3SLC1A3SLC1A2SLC1A1
SCHEMBL22336854 0.88 ALDH1A1 (0.50) FOLH1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL10472314 0.85 SIGMAR1 (0.49) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7929513 0.82 KMT2A (0.49) CPA3SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL6824207 0.82 KMT2A (0.49) CPA3SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL2317601 0.82 KMT2A (0.49) CPA3SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL30169132 0.82 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL30169245 0.81 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL8514587 0.81 SLC1A3 (0.49) FOLH1CPA3SLC1A3SLC1A2SLC1A1
SCHEMBL9870528 0.81 ALDH1A1 (0.45) FOLH1SLC1A3SLC1A2SLC1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895591-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895591-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895591-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
EP-2029561-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2029561-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
US-20140011849-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-09 US disclosed
US-20140011849-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-09 US disclosed
US-20140011849-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-09 US disclosed
US-8552037-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-08 US disclosed
US-8552037-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-08 US disclosed
US-20110190361-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
CN-101506181-A Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL (JP) 2009-08-12 CN disclosed
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-16 US disclosed
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-16 US disclosed
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-16 US disclosed
EP-2029561-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-04 EP disclosed
WO-2007148808-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-27 WO disclosed
WO-2007148808-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-27 WO disclosed
CN-1479728-A Peroxisome proliferator activated receptor alpha agonists 2004-03-03 CN disclosed
CN-1143960-A Therapeutic heterocyclic compounds WELLCOME FOUND (GB) 1997-02-26 CN 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-20110190361-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 FOLH1 943/4885CPA3 516/4885SLC1A3 2742/4885
US-20090182023-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 FOLH1 943/4885CPA3 516/4885SLC1A3 2742/4885
US-20140011849-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 FOLH1 943/4885CPA3 516/4885SLC1A3 2742/4885

“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.