SCHEMBL59917

SCHEMBL59917

O=[C]C1CCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
EPHX1 P07099 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3022777 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL3036858 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL1920807 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL95619 1.00
SCHEMBL3027678 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL1920210 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL3034311 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL26096 1.00
SCHEMBL329468 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A
SCHEMBL1218164 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1EPHX1HIF1A

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 1097 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655225-B2 Antimycobacterial heterocyclic amides CRESTONE, INC. (US) 2023-05-23 US claimed
CN-112423746-A Novel anti-mycobacterial heterocyclic amides 克莱斯通公司 2021-02-26 CN claimed
US-20210002239-A1 Novel Antimycobacterial Heterocyclic Amides CRESTONE, INC. 2021-01-07 US claimed
EP-3758697-A1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES Crestone, Inc. (US) 2021-01-06 EP claimed
US-9063411-B2 Additive for resist and resist composition comprising same KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2015-06-23 US claimed
US-20140162937-A1 POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS LTD. (FI) 2014-06-12 US claimed
US-8680234-B2 Polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS OY (FI) 2014-03-25 US claimed
US-20130171561-A1 ADDITIVE FOR RESIST AND RESIST COMPOSITION COMPRISING SAME KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2013-07-04 US claimed
US-20130171560-A1 ADDITIVE FOR RESIST AND RESIST COMPOSITION COMPRISING SAME KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2013-07-04 US claimed
US-8329645-B2 Polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS LTD. (FI) 2012-12-11 US claimed
US-20100292136-A1 POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS OY (FI) 2010-11-18 US claimed
US-20090215677-A1 POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS LTD. (FI) 2009-08-27 US claimed
US-20240216389-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-07-04 US disclosed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN disclosed
US-11957691-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-04-16 US disclosed
EP-4349872-A1 ß GLUCAN ESTER DERIVATIVE LIXIL Corporation (JP) 2024-04-10 EP disclosed
US-4054651-A Method of contraception RICHARDSON-MERRELL INC. (US) 1977-10-18 US disclosed
US-4013762-A STEROIDS WITHOUT ANDROGENIZING EFFECT RICHARDSON-MERRELL INC. (US) 1977-03-22 US disclosed
US-4006122-A STORAGE STABLE THE UPJOHN COMPANY (US) 1977-02-01 US disclosed
US-4000275-A BENZIMIDAZO(2,1-B) QUINAZOLIN-12(6H)ONES ELI LILLY AND COMPANY (US) 1976-12-28 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 (7 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-20090215677-A1 POLYMYXIN DERIVATIVES AND USES THEREOF C5, C9, C3AR1 ALDH1A1 4876/4885CES2 4709/4885CES1 3391/4885
US-20140162937-A1 POLYMYXIN DERIVATIVES AND USES THEREOF SLC11A2, TLR2, TLR5 ALDH1A1 4808/4885CES2 4455/4885CES1 3527/4885
US-11655225-B2 Antimycobacterial heterocyclic amides AADAC, CPS1, NAT1 ALDH1A1 1850/4885CES2 730/4885CES1 950/4885
US-20100292136-A1 POLYMYXIN DERIVATIVES AND USES THEREOF C5, C9, C3AR1 ALDH1A1 4876/4885CES2 4709/4885CES1 3391/4885
US-11957691-B2 Drug for preventing and/or treating polycystic kidney disease PKD1, PKD2, SSTR5 ALDH1A1 3354/4885CES2 3350/4885CES1 1326/4885
US-20210002239-A1 Novel Antimycobacterial Heterocyclic Amides AADAC, CPS1, ACAT1 ALDH1A1 2417/4885CES2 810/4885CES1 1028/4885
US-20240216389-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, SSTR5 ALDH1A1 3354/4885CES2 3350/4885CES1 1326/4885

“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.