SCHEMBL92858

SCHEMBL92858

O=C(O)CC1CC=CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
TDP1 Q9NUW8 4/20 0.43
ALDH1A1 P00352 7/20 0.42
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A12 P48065 2/20 0.41
SLC6A11 P48066 2/20 0.41
SLC6A13 Q9NSD5 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL22587458 1.00 KDM4E (0.43) KDM4ETDP1ALDH1A1SLC6A1GABRA5
Acetic Acid SCHEMBL16498836 0.92 KDM4E (0.41) KDM4ETDP1ALDH1A1SLC6A1GABRA5
SCHEMBL7072429 0.89 SLC6A12 (0.45) KDM4ETDP1ALDH1A1SLC6A1GABRA5
SCHEMBL11150873 0.88 SLC6A1 (0.38) KDM4ETDP1ALDH1A1SLC6A1GABRA5
SCHEMBL11226295 0.84
SCHEMBL5957597 0.82
SCHEMBL14044378 0.81 KDM4E (0.42) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL2690835 0.81 KDM4E (0.42) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL13288932 0.81 KDM4E (0.39) KDM4ETDP1ALDH1A1GAAPOLB
SCHEMBL3779370 0.81 SLC6A1 (0.39) KDM4ETDP1ALDH1A1SLC6A1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020224232-A1 ACINETOBACTER AND USE THEREOF IN PRODUCTION OF CHIRAL 3-CYCLOHEXENE-1-FORMIC ACID 江南大学 2020-11-12 WO claimed
CN-117925568-A Carboxylesterase mutant and preparation method and application thereof 国药国际医药科技(北京)有限公司 2024-04-26 CN disclosed
EP-3299356-B1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-11-24 EP disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
US-8198016-B2 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-8192921-B2 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-8129099-B2 Double patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-8105764-B2 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20100178617-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-07-15 US disclosed
US-20090286188-A1 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-20090208886-A1 DOUBLE PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7569323-B2 Resist protective coating material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-20090081595-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-03-26 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 US disclosed
US-3996201-A MOLDING CIBA-GEIGY CORPORATION (US) 1976-12-07 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 (1 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-20090053142-A1 CONTRAST AGENTS IPO4, TPO, IPO11 KDM4E 3660/4885TDP1 3211/4885ALDH1A1 3352/4885

“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.