SCHEMBL7933576

SCHEMBL7933576

CCCCN(CCO)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA9 Q16790 3/20 0.32
ALDH2 P05091 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.30
CA2 P00918 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
SCHEMBL14201614 0.93 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL865548 0.87 MMP1 (0.36) ALDH1A1LMNATSHRMMP1MMP2
SCHEMBL3431851 0.85 MEN1 (0.36) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7921722 0.85 FDPS (0.39) ALDH1A1MEN1KMT2ATSHRCA1
Bromide SCHEMBL31364322 0.85 DNM1 (0.38) ALDH1A1LMNATSHRMMP1MMP2
Water SCHEMBL28587222 0.85 TSHR (0.35) ALDH1A1LMNATSHRMMP1MMP2
Hydrochloric Acid SCHEMBL1428262 0.85 DNM1 (0.38) ALDH1A1LMNATSHRMMP1MMP2
SCHEMBL79660 0.84 MAPT (0.42) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL2058531 0.84 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL26350000 0.84 MEN1 (0.33) ALDH1A1MEN1KMT2AALDH2MAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 WO disclosed
WO-2020257716-A1 TRICINE AND CITRIC ACID LIPIDS TRANSLATE BIO, INC. (US) 2020-12-24 WO disclosed
WO-2011152485-A1 NOVEL 4,5-FUSED PYRIMIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-12-08 WO disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 US disclosed
US-20010031865-A1 Substituted 3-phenyluracils KLINTZ RALF (DE) 2001-10-18 US disclosed
US-6239074-B1 HERBICIDES, INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-05-29 US disclosed
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0604491-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF Aktiengesellschaft (DE) 1994-07-06 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed
WO-1993006090-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-04-01 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 (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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA ALDH1A1 2148/4885SMN1; SMN2 3467/4885LMNA 4142/4885
US-20080096903-A1 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 ALDH1A1 2092/4885SMN1; SMN2 2656/4885LMNA 4433/4885
US-20010031865-A1 Substituted 3-phenyluracils CCR1, CCR6, CCR3 ALDH1A1 1864/4885SMN1; SMN2 4165/4885LMNA 1409/4885

“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.