SCHEMBL19982848

SCHEMBL19982848

CC1(C)CC(NC=O)CCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
ADH1B P00325 4/20 0.43
ADH1A P07327 4/20 0.43
ADH1C P00326 3/20 0.40
ADH7 P40394 2/20 0.40
ADH4 P08319 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6888693 0.75 HTT (0.45) HTTSMN1; SMN2CYP3A4CYP2D6CYP2C19
SCHEMBL13708739 0.75 HTT (0.45) HTTSMN1; SMN2CYP3A4CYP2D6CYP2C19
SCHEMBL13708740 0.75 HTT (0.45) HTTSMN1; SMN2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL28481257 0.74 HTT (0.44) HTTSMN1; SMN2CYP3A4CYP2D6CYP2C19
SCHEMBL25142177 0.73 ALDH1A1 (0.46) HTTADH1BADH1AADH1CADH4
SCHEMBL25590015 0.71 SMN1; SMN2 (0.49) HTTSMN1; SMN2CYP3A4CYP2D6CYP2C19
SCHEMBL25589521 0.71 SMN1; SMN2 (0.46) HTTSMN1; SMN2CYP3A4CYP2D6CYP2C19
SCHEMBL10749845 0.69 ADH1B (0.37) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17541189 0.69 POLB (0.41) HTTSMN1; SMN2POLBGAAMAPT
SCHEMBL1463750 0.69 POLB (0.41) HTTSMN1; SMN2POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2024-01-25 US disclosed
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2024-01-25 US disclosed
US-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 US disclosed
US-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 US disclosed
WO-2023078231-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (CN) 2023-05-11 WO disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP 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-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 HTT 2813/4885ADH1B 1897/4885ADH1A 3415/4885
US-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 HTT 2813/4885ADH1B 1897/4885ADH1A 3415/4885
US-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections ACE2, ACE, SARS1 HTT 2813/4885ADH1B 1897/4885ADH1A 3415/4885

“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.