SCHEMBL6528006

SCHEMBL6528006

CCCCCCn1cc(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KDR P35968 5/20 0.40
SMPD1 P17405 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
GBA1 P04062 1/20 0.35

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
SCHEMBL1228571 0.98 ALDH1A1 (0.41) ALDH1A1KDRSMPD1L3MBTL1KMT2A
SCHEMBL672494 0.92 ALDH1A1 (0.42) ALDH1A1L3MBTL1KMT2ATSHRMAPK1
SCHEMBL670006 0.84
SCHEMBL16056745 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1KMT2ATSHRMAPK1
SCHEMBL16065232 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1KMT2ATSHRMAPK1
SCHEMBL16065410 0.81 ALDH1A1 (0.40) ALDH1A1KMT2ATSHRMAPK1HSD17B10
SCHEMBL17406960 0.81 ALDH1A1 (0.40) ALDH1A1KMT2ATSHRMAPK1HSD17B10
SCHEMBL31049315 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1KMT2ATSHRMAPK1
SCHEMBL24247872 0.80 KMT2A (0.43) ALDH1A1L3MBTL1KMT2ATSHRMAPK1
SCHEMBL294214 0.79 LMNA (0.41) KDRSMPD1L3MBTL1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
US-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-07-28 US disclosed
US-9332754-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-05-10 US disclosed
US-20150087833-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-03-26 US disclosed
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO 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-20150087833-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT C1S, TRPA1, STK39 ALDH1A1 2890/4885KDR 3964/4885SMPD1 1650/4885
US-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT C1S, TRPA1, STK39 ALDH1A1 2890/4885KDR 3964/4885SMPD1 1650/4885
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent C1S, TRPA1, STK39 ALDH1A1 2890/4885KDR 3964/4885SMPD1 1650/4885

“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.