SCHEMBL1610236

SCHEMBL1610236

CCCCC[CH]c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
P2RX7 Q99572 1/20 0.38
ACHE P22303 1/20 0.35
TLR8 Q9NR97 1/20 0.34
SOAT2 O75908 1/20 0.34
SOAT1 P35610 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TP53 P04637 1/20 0.33
FAAH O00519 2/20 0.33
CYP2D6 P10635 1/20 0.33
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1610408 0.98 TSHR (0.42) ALDH1A1TSHRP2RX7TLR8SOAT2
SCHEMBL9245692 0.98 TSHR (0.42) ALDH1A1TSHRP2RX7TLR8SOAT2
SCHEMBL1610543 0.98 TSHR (0.42) ALDH1A1TSHRP2RX7TLR8SOAT2
SCHEMBL9303850 0.98 TSHR (0.42) ALDH1A1TSHRP2RX7TLR8SOAT2
SCHEMBL1611320 0.94 TSHR (0.45) ALDH1A1TSHRP2RX7ACHEKDM4E
SCHEMBL1610013 0.85 TSHR (0.48) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL1611455 0.85 TLR8 (0.36) ALDH1A1TSHRP2RX7TLR8FAAH
SCHEMBL1610200 0.83 CNR1 (0.37) TSHRP2RX7TLR8KDM4EFAAH
SCHEMBL1612511 0.83 CNR1 (0.37) TSHRP2RX7TLR8KDM4EFAAH
SCHEMBL29101283 0.81 CYSLTR2 (0.46) ALDH1A1TSHRP2RX7TLR8SOAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021107870-A1 ANTIMICROBIAL AGENT, COATING FORMULATION, COMPOSITE SURFACE COATING AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-06-03 WO disclosed
US-9802902-B2 Antifungal compound AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-31 US disclosed
US-20170037013-A1 ANTIFUNGAL COMPOUND AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-02-09 US disclosed
US-9493424-B2 Antifungal compound AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-15 US disclosed
US-20150203454-A1 ANTIFUNGAL COMPOUND AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-07-23 US disclosed
WO-2014025314-A1 An Antifungal Compound AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-02-13 WO disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 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-20150203454-A1 ANTIFUNGAL COMPOUND ERG28, DPM1, BAK1 ALDH1A1 3011/4885TSHR 4379/4885P2RX7 4227/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 ALDH1A1 137/4885TSHR 2994/4885P2RX7 2843/4885
US-20170037013-A1 ANTIFUNGAL COMPOUND ERG28, DPM1, BAK1 ALDH1A1 3011/4885TSHR 4379/4885P2RX7 4227/4885

“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.