SCHEMBL10242709

SCHEMBL10242709

CC(=O)c1cc(C)c(C)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 3/20 0.50
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALPG P10696 1/20 0.44
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALPL P05186 1/20 0.41
AKR1C3 P42330 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL700764 0.81 APEX1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1450299 0.79 NPC1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2172078 0.79 NPC1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL5739188 0.77 NPC1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13181122 0.77 TAS1R3 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14086112 0.76 NPC1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13152217 0.76 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL20188651 0.76 MAPT (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1901997 0.74 TAS1R3 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL17988331 0.73 NPC1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 US disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 US disclosed
US-9887371-B2 Organic electroluminescent device; a charge transporting material for the organic electroluminescent device; and a luminescent device, a display device and a lighting system using the organic electroluminescent device UDC IRELAND LIMITED (IE) 2018-02-06 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20160260910-A1 Organic Electroluminescent Device; A Charge Transporting Material For The Organic Electroluminescent Device; And A Luminescent Device, A Display Device And A Lighting System Using The Organic Electroluminescent Device UDC IRELAND LTD (IE) 2016-09-08 US disclosed
EP-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 EP disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
EP-2284171-A1 Amides of diazabicycloalkanes selective for nicotinic acetylcholine receptor sub-types Targacept, Inc. (US) 2011-02-16 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 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 (5 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ALDH1A1 3778/4885NPC1 218/4885RAB9A 1449/4885
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 ALDH1A1 4014/4885NPC1 810/4885RAB9A 1387/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 ALDH1A1 4014/4885NPC1 810/4885RAB9A 1387/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 ALDH1A1 102/4885NPC1 48/4885RAB9A 1216/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 ALDH1A1 2036/4885NPC1 2415/4885RAB9A 3461/4885

“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.