SCHEMBL9921294

SCHEMBL9921294

CCC(C)OCCN1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
PSMB1 P20618 2/20 0.44
PSMB5 P28074 2/20 0.44
CHRNA7 P36544 1/20 0.42
HTT P42858 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC22A1 O15245 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL9921287 0.98 ALDH1A1 (0.46) ALDH1A1PSMB1PSMB5CHRNA7HTT
SCHEMBL20333241 0.89 HTT (0.48) ALDH1A1PSMB1PSMB5HTTSMN1; SMN2
SCHEMBL13543156 0.89 MEN1 (0.45) ALDH1A1HRH3KDM4EL3MBTL1MEN1
SCHEMBL20333196 0.87 HTT (0.49) ALDH1A1PSMB1PSMB5HTTSMN1; SMN2
SCHEMBL13543410 0.86 MEN1 (0.46) ALDH1A1CYP2D6CYP2C19HRH3KDM4E
SCHEMBL20326058 0.85 PSMB1 (0.41) ALDH1A1PSMB1PSMB5CHRNA7CYP3A4
SCHEMBL22446626 0.84 ALDH1A1 (0.35) ALDH1A1KDM4ELTA4HMEN1KMT2A
SCHEMBL20333659 0.84 HTT (0.44) ALDH1A1HTTCHRM2SLC6A2SLC6A4
SCHEMBL21120433 0.83 HRH3 (0.44) HTTCHRM2SLC6A2SLC6A4SLC6A3
SCHEMBL26939784 0.83 HRH3 (0.44) HTTCHRM2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10881608-B2 Biodegradable intravitreal tyrosine kinase implants ALLERGAN, INC. (US) 2021-01-05 US disclosed
US-20190038551-A1 BIODEGRADABLE INTRAVITREAL TYROSINE KINASE IMPLANTS ALLERGAN, INC. 2019-02-07 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885PSMB1 3165/4885PSMB5 3280/4885
US-10881608-B2 Biodegradable intravitreal tyrosine kinase implants KDR, PTK2B, DSTYK ALDH1A1 1500/4885PSMB1 3356/4885PSMB5 4418/4885
US-20190038551-A1 BIODEGRADABLE INTRAVITREAL TYROSINE KINASE IMPLANTS KDR, PTK2B, DSTYK ALDH1A1 1537/4885PSMB1 3351/4885PSMB5 4426/4885

“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.