SCHEMBL980782

SCHEMBL980782

CCCC(CCCO)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 5/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
METAP1 P53582 1/20 0.32

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
SCHEMBL13625324 0.87 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL454855 0.86 LMNA (0.52) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL9918852 0.84 TSHR (0.43) ALDH1A1TSHRSMN1; SMN2LMNACHRM1
SCHEMBL15469686 0.84 TSHR (0.43) ALDH1A1TSHRSMN1; SMN2LMNACHRM1
SCHEMBL10662128 0.84 OPRM1 (0.39) TSHRLMNAMETAP1CYP3A4CYP2D6
SCHEMBL1053416 0.82 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL30987410 0.81 OPRM1 (0.38) TSHRLMNACYP3A4CYP2D6SPHK1
SCHEMBL4444621 0.81 DNM1 (0.39) ALDH1A1TSHRSMN1; SMN2LMNATDP1
SCHEMBL7205723 0.81 LMNA (0.59) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL727391 0.81 LMNA (0.59) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10

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
CN-118994496-A Contact lens and silicone contact lens 望隼科技股份有限公司 2024-11-22 CN disclosed
CN-119002096-A Method for manufacturing contact lens 望隼科技股份有限公司 2024-11-22 CN disclosed
CN-116983695-A Device and method for by-producing isovaleraldehyde by utilizing oil phase of condensation circulating tower of 2-propylheptanol production device 中国海洋石油集团有限公司 2023-11-03 CN disclosed
US-20120122947-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-17 US disclosed
US-20110001221-A1 DIELECTRIC LAYER INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2011-01-06 US disclosed
US-7829137-B2 Fabricating dielectric layer INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-11-09 US disclosed
US-20080249606-A1 Methods for Determining the Effect of a Treatment on the Cross-Beta Structure Content of a Protein; Selection of Treatments and Uses Thereof CROSSBETA BIOSCIENCES B.V. (NL) 2008-10-09 US disclosed
JP-2007238573-A PERFUME USED IN FIRST AGENT OF TWO-PACK TYPE OXIDATION HAIRDYE, AND THE FIRST AGENT OF THE TWO-PACK TYPE OXIDATION HAIRDYE CONTAINING THE PERFUME OGAWA & CO LTD 2007-09-20 JP disclosed
US-20070172583-A1 DIELECTRIC LAYER, COMPOSITION AND METHOD FOR FORMING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2007-07-26 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-20120122947-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 ALDH1A1 1498/4885TSHR 2230/4885SMN1; SMN2 3088/4885

“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.