SCHEMBL4060725

SCHEMBL4060725

O=C(O)C(I)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KEAP1 Q14145 1/20 0.48
▸ ANPEP P15144 2/20 0.47
▸ ERAP1 Q9NZ08 2/20 0.47
▸ ERAP2 Q6P179 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ MME P08473 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ACP3 P15309 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HDAC4 P56524 1/20 0.45

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
SCHEMBL11836621 0.89 MMP12 (0.58) TSHRMMEHTT
SCHEMBL3974022 0.86 MAPT (0.52) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL3409877 0.85 MAPT (0.55) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL5046410 0.85 MAPT (0.55) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL16315019 0.82 CYP1A2 (0.45) CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL17590597 0.82 TAAR1 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2291948 0.80 MMP8 (0.56) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL17022224 0.78 CYP1A2 (0.61) CYP1A2PPARGPPARA
SCHEMBL22863218 0.78 CYP1A2 (0.61) CYP1A2PPARGPPARA
SCHEMBL1567341 0.78 CYP1A2 (0.61) CYP1A2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 — — EP claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 — — US claimed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 — — US claimed
WO-2025035608-A1 GLUTAMIC ACID UREA COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF, NUCLIDE TARGETING PROBE AND PREPARATION METHOD THEREFOR AND USE THEREOF, AND PHARMACEUTICAL COMPOSITION 厦门大学 2025-02-20 — — WO disclosed
US-20240050600-A1 Radiopharmaceuticals, uses thereof, and methods for the production thereof Clarity Pharmaceuticals Ltd (AU) 2024-02-15 — — US disclosed
EP-4196175-A1 RADIOPHARMACEUTICALS, USES THEREOF, AND METHODS FOR THE PRODUCTION THEREOF Clarity Pharmaceuticals Ltd (AU) 2023-06-21 — — EP disclosed
CN-110740757-B Novel PSMA-binding agents and uses thereof 同位素技术慕尼黑公司 2023-04-04 — — CN disclosed
WO-2022032353-A1 RADIOPHARMACEUTICALS, USES THEREOF, AND METHODS FOR THE PRODUCTION THEREOF Clarity Pharmaceuticals Ltd (AU) 2022-02-17 — — WO disclosed
CN-110740757-A Novel PSMA-binding agents and uses thereof 同位素技术慕尼黑公司 2020-01-31 — — CN disclosed
WO-2018233798-A1 NOVEL PSMA-BINDING AGENTS AND USES THEREOF ITM Isotopen Technologien München AG (DE) 2018-12-27 — — WO disclosed
US-8846039-B2 Method for ameliorating pruritus ASAN LABORATORIES COMPANY (CAYMAN), LIMITED (TW) 2014-09-30 — — US disclosed
US-5710178-A ARYL- AND ARYLOXYALKANOIC ACIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-01-20 — — US disclosed
US-5708025-A BY INDUCING PRODUCTION OF FETAL HEMOGLOBINS BY ADMINISTERING SPECIFIED ARYL ACIDS, DERIVATIVES, SALTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-01-13 — — US disclosed
US-5661179-A ADMINISTERING; TREATS NEUROBLASTOMA, MYELODYSPLASIA, NON-SMALL CELL LUNG CANCER, PROSTATE CANCER, MELANOMA, BRAIN TUMOR, KAPOSI'S SARCOMA, LYMPHOMA, LEUKEMIA, BREAST AND LUNG CANCER, OSTEOSARCOMA AND FIBROSARCOMA THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-08-26 — — US disclosed
US-5654333-A THERAPY FOR ANEMIA, CANCER, AIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-08-05 — — US disclosed
US-5635533-A ANTITUMOR AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-06-03 — — US disclosed
US-5635532-A ADMINISTERING PHENYL OR NAPHTHYL ACETIC ACID DERIVATIVES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-06-03 — — US disclosed
US-5605930-A ADMINISTERING PHENYLACETIC ACID AS AN INHIBITOR OF THE MEVALONATE PATHWAY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-02-25 — — US disclosed
EP-0725635-A1 PHENYLACETATE AND DERIVATIVES ALONE OR IN COMBINATION WITH OTHER COMPOUNDS AGAINST NEOPLASTIC CONDITIONS AND OTHER DISORDERS THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-08-14 — — EP disclosed
WO-1995010271-A2 PHENYLACETATE AND DERIVATIVES ALONE OR IN COMBINATION WITH OTHER COMPOUNDS AGAINST NEOPLASTIC CONDITIONS AND OTHER DISORDERS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-04-20 — — 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 (1 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-20240050600-A1 Radiopharmaceuticals, uses thereof, and methods for the production thereof GRPR, OGFR, GHRHR CNR2 843/4885TSHR 147/4885KEAP1 2372/4885

“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.

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