SCHEMBL439640

SCHEMBL439640

CCCC(C(=O)O)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CPN1 P15169 6/20 0.40
CPB2 Q96IY4 6/20 0.40
SHBG P04278 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
Ammonia Solution, Strong SCHEMBL27751845 0.98 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C9CYP2C19HIF1ACHRM1
SCHEMBL4978863 0.98 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C9CYP2C19HIF1ACHRM1
SCHEMBL5967364 0.90 CHRM1 (0.46) SMN1; SMN2CYP2C9CYP2C19HIF1ACHRM1
SCHEMBL435610 0.89 CYP2C9 (0.45) SMN1; SMN2CYP2C9CYP2C19HIF1AEPHX1
Valeric Acid SCHEMBL27540568 0.88 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C9CYP2C19HIF1ATDP1
SCHEMBL1032475 0.87 LCK (0.47) SMN1; SMN2CYP2C9CYP2C19HIF1AEPHX1
SCHEMBL407615 0.86 CA2 (0.44) SMN1; SMN2CYP2C9CYP2C19HIF1ACPN1
SCHEMBL1527354 0.86 CA2 (0.44) SMN1; SMN2CYP2C9CYP2C19HIF1ACPN1
SCHEMBL2555276 0.85 LCK (0.50) CYP2C9CYP2C19HIF1AEPHX1
SCHEMBL10494941 0.85 LCK (0.50) CYP2C9CYP2C19HIF1AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116731698-B Multi-effect nano emulsion and preparation method, using method and application thereof 中海油田服务股份有限公司 2025-01-28 CN claimed
CN-116731698-A Multi-effect nano emulsion and preparation method, using method and application thereof 中海油田服务股份有限公司 2023-09-12 CN claimed
CN-102245564-A Crystalline forms of a 3-carboxypropyl-aminotetralin compound THERAVANCE INC 2011-11-16 CN claimed
WO-2006105842-A1 SYNERGISTS FOR BOOSTING THE ACTION OF REPELLENTS MERCK PATENT GMBH (DE) 2006-10-12 WO claimed
US-20050267168-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-12-01 US claimed
CN-1200703-C Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2005-05-11 CN claimed
US-20030096802-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-05-22 US claimed
CN-1322524-A Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2001-11-21 CN claimed
US-6201021-B1 TREATMENT OF DISEASES INDUCED BY REACTIVE ASTROCYTES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-03-13 US claimed
CN-1054872-C Aqueous anti-corrosion treating agent and its preparing and using method UNIV DONGBEI (CN) 2000-07-26 CN claimed
EP-0632008-B1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1998-02-04 EP claimed
CN-1113927-A Aqueous anti-corrosion treating agent and its preparing and using method UNIV DONGBEI (CN) 1995-12-27 CN claimed
CN-1100408-A Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-03-22 CN claimed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 EP claimed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 US disclosed
CN-116731698-B Multi-effect nano emulsion and preparation method, using method and application thereof 中海油田服务股份有限公司 2025-01-28 CN disclosed
CN-111465849-B Quantitative method for determining organic acid content of crude oil 英国石油勘探运作有限公司 2023-12-12 CN disclosed
CN-87100308-A Polypeptide compound 1987-09-16 CN disclosed
EP-0231077-A2 Polypeptide compounds SMITHKLINE BECKMAN CORPORATION (US) 1987-08-05 EP disclosed
US-4243655-A CONTAINING BIOTIN ANTAGONISTS GUNTHER ROLAND E 1981-01-06 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 (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-20050267168-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 SMN1; SMN2 373/4885CYP2C9 581/4885CYP2C19 1586/4885
US-20030096802-A1 Pentanoic acid derivatives FFAR3, FPR1, FPR3 SMN1; SMN2 138/4885CYP2C9 1926/4885CYP2C19 3633/4885
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP SMN1; SMN2 3657/4885CYP2C9 4616/4885CYP2C19 4727/4885

“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.