Phenylacetic Acid

Phenylacetic Acid

SCHEMBL145669

CC(C)Oc1ccccc1OC(CCN(C)C)c1ccccc1.O=C(O)Cc1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SLC6A9 P48067 3/20 0.50
SLC6A4 P31645 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
UTS2R Q9UKP6 2/20 0.44
CNR2 P34972 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
Oxalic Acid SCHEMBL7317340 0.89 KDM4E (0.69) KDM4EALDH1A1SLC6A9SLC6A4HRH3
Phenylacetic Acid SCHEMBL11233307 0.85 SLC6A2 (0.47) SLC6A9SLC6A4CNR2
Acetic Acid Phenyl Ester SCHEMBL6726562 0.82 KDM4E (0.54) KDM4EALDH1A1SLC6A9SLC6A4HRH3
Oxalic Acid SCHEMBL7314749 0.78 KDM4E (0.56) KDM4EALDH1A1SLC6A9SLC6A4HRH3
SCHEMBL21658557 0.77 SLC6A9 (0.53) KDM4EALDH1A1SLC6A9SLC6A4HRH3
SCHEMBL6729778 0.76 SLC6A9 (0.64) SLC6A9SLC6A4HRH3
Oxalic Acid SCHEMBL5033726 0.76 CYP1A2 (0.57) KDM4EALDH1A1SLC6A9SLC6A4HRH3
Phenyl Propionic Acid SCHEMBL141192 0.76 SLC6A9 (0.45) SLC6A9SLC6A4HRH3UTS2R
Maleic Acid SCHEMBL7315527 0.76 SLC6A9 (0.64) KDM4EALDH1A1SLC6A9SLC6A4HRH3
Fumaric Acid SCHEMBL7315531 0.76 SLC6A9 (0.64) KDM4EALDH1A1SLC6A9SLC6A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2004-12-30 US claimed
EP-1425002-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENTS IN THE TREATMENT OF CANCER Ramot at Tel Aviv University Ltd. (IL) 2004-06-09 EP claimed
US-20040054014-A1 Method and pharmaceutical compositions forthe treatment of cancer RAMOT AT TEL AVIV UNIVERSITY LTD. 2004-03-18 US claimed
US-6630454-B2 Method and pharmaceutical composition for the treatment of cancer RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2003-10-07 US claimed
US-20030087964-A1 Method and pharmaceutical composition for the treatment of cancer RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. 2003-05-08 US claimed
WO-2003022258-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENT IN THE TREATMENT OF CANCER RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-03-20 WO claimed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US disclosed
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 EP disclosed
EP-2218442-A1 Methods, compositions, and kits for the treatment of ophthalmic disorders CombinatoRx, Inc. (US) 2010-08-18 EP disclosed
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS CombinatoRx, (Singapore) Pte. Ltd. 2010-04-01 US disclosed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 EP disclosed
EP-1670427-A4 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2009-01-07 EP disclosed
US-6630454-B2 Method and pharmaceutical composition for the treatment of cancer RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2003-10-07 US disclosed
US-20030087964-A1 Method and pharmaceutical composition for the treatment of cancer RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. 2003-05-08 US disclosed
WO-2003022258-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENT IN THE TREATMENT OF CANCER RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-03-20 WO disclosed
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 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 (5 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-20040054014-A1 Method and pharmaceutical compositions forthe treatment of cancer ABCC1, ABCB1, SLC11A2 KDM4E 599/4885ALDH1A1 290/4885SLC6A9 1153/4885
US-20030087964-A1 Method and pharmaceutical composition for the treatment of cancer PNMT, ABCC1, HNMT KDM4E 2664/4885ALDH1A1 530/4885SLC6A9 2429/4885
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer ABCC1, PNMT, ABCB1 KDM4E 1474/4885ALDH1A1 133/4885SLC6A9 2252/4885
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS IFNG, IL5, HAVCR2 KDM4E 3362/4885ALDH1A1 2248/4885SLC6A9 4747/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP KDM4E 3208/4885ALDH1A1 1014/4885SLC6A9 4836/4885

“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.