SCHEMBL10000172

SCHEMBL10000172

CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC#N

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALOX15 P16050 2/20 0.57
ALDH1A1 P00352 1/20 0.57
UGT1A1 P22309 1/20 0.57
SQLE Q14534 7/20 0.55
KDM4E B2RXH2 1/20 0.52
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
ICMT O60725 1/20 0.46

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
SCHEMBL10544495 1.00 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL20510124 1.00 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10000157 1.00 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8622315 0.88 KMT2A (0.59) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8622310 0.88 KMT2A (0.59) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL6131630 0.87
SCHEMBL20305422 0.86 KMT2A (0.45) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL20305424 0.86 KMT2A (0.45) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1105232 0.83 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8940810 0.83 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12064239-B2 Device and methods for detection and monitoring of tuberculosis TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2024-08-20 US disclosed
US-20210282678-A1 DEVICE AND METHODS FOR DETECTION AND MONITORING OF TUBERCULOSIS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2021-09-16 US disclosed
EP-3602044-A1 DEVICE AND METHODS FOR DETECTION AND MONITORING OF TUBERCULOSIS Technion Research & Development Foundation Limited (IL) 2020-02-05 EP disclosed
WO-2018173060-A1 DEVICE AND METHODS FOR DETECTION AND MONITORING OF TUBERCULOSIS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2018-09-27 WO disclosed
US-9657313-B2 Isoprene oligomer, polyisoprene, processes for producing these materials, rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-05-23 US disclosed
US-9657313-B2 Isoprene oligomer, polyisoprene, processes for producing these materials, rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-05-23 US disclosed
US-20160222418-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-08-04 US disclosed
US-20160222418-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-08-04 US disclosed
US-9371342-B2 Isoprene oligomer, polyisoprene, processes for producing these materials, rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-06-21 US disclosed
US-9371342-B2 Isoprene oligomer, polyisoprene, processes for producing these materials, rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-06-21 US disclosed
US-20140171675-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE YAMAGATA UNIVERSITY (JP) 2014-06-19 US disclosed
US-20140171675-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE YAMAGATA UNIVERSITY (JP) 2014-06-19 US disclosed
WO-2012008298-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE 住友ゴム工業株式会社 (JP) 2012-01-19 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 (2 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-20140171675-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE RCE1, GGPS1, TELO2 KMT2A 4466/4885MAPT 3569/4885MEN1 822/4885
US-20160222418-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE RCE1, GGPS1, TELO2 KMT2A 4466/4885MAPT 3569/4885MEN1 822/4885

“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.