SCHEMBL849235

SCHEMBL849235

CC1CCCCC=C1C1=CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HSD11B1 P28845 1/20 0.33
CSF1R P07333 1/20 0.32
NPC1 O15118 1/20 0.32
EPHX1 P07099 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSMB5 P28074 1/20 0.30
PTGS2 P35354 1/20 0.30
FFAR2 O15552 1/20 0.30
TYMP P19971 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5775953 0.78 KMT2A (0.38) KMT2ACA1CA2CA4HDAC1
SCHEMBL6905057 0.78 KMT2A (0.38) KMT2ACA1CA2CA4HDAC1
SCHEMBL8085921 0.74 CA1 (0.32) KMT2ACA1CA2CA4
SCHEMBL28961336 0.74 MAPT (0.31)
SCHEMBL2105114 0.71 TYMP (0.41) HDAC2NPC1RAB9APSMB5PTGS2
SCHEMBL18244171 0.71 TYMP (0.41) HDAC2NPC1RAB9APSMB5PTGS2
SCHEMBL11201526 0.71 TYMP (0.41) HDAC2NPC1RAB9APSMB5PTGS2
SCHEMBL21057468 0.71 TYMP (0.41) HDAC2NPC1RAB9APSMB5PTGS2
SCHEMBL3233362 0.71 TYMP (0.41) HDAC2NPC1RAB9APSMB5PTGS2
SCHEMBL3233355 0.71 TYMP (0.41) HDAC2NPC1RAB9APSMB5PTGS2

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
EP-1950216-B1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND MITSUI CHEMICALS INC (JP) 2018-08-29 EP disclosed
US-8211984-B2 Ring-opening metathesis polymer, hydrogenated product thereof, method for preparing the same, and use thereof MITSUI CHEMICALS, INC. (JP) 2012-07-03 US disclosed
US-8143429-B2 Process for producing organic transition metal complex compound, metathesis catalyst produced by using the same, ring-opening metathesis polymer obtainable with the metathesis catalyst, and process for producing the polymer MITSUI CHEMICALS, INC. (JP) 2012-03-27 US disclosed
US-20090215974-A1 RING-OPENING METATHESIS POLYMER, HYDROGENATED PRODUCT THEREOF, METHOD FOR PREPARING THE SAME, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2009-08-27 US disclosed
US-20090124772-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY USING THE SAME, RING-OPENING METATHESIS POLYMER OBTAINABLE WITH THE METATHESIS CATALYST, AND PROCESS FOR PRODUCING THE POLYMER MITSUI CHEMICALS, INC. (JP) 2009-05-14 US disclosed
EP-2045280-A1 RING-OPENING METATHESIS POLYMERS, PRODUCTS OF HYDROGENATION THEREOF, PROCESS FOR PRODUCTION OF THE SAME AND USES THEREOF Mitsui Chemicals, Inc. (JP) 2009-04-08 EP disclosed
EP-1950216-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY THE PROCESS, METATHESIS POLYMER FORMED BY RING OPENING POLYMERIZATION WITH THE SAME, AND PROCESS FOR PRODUCING POLYMER WITH THE SAME Mitsui Chemicals, Inc. (JP) 2008-07-30 EP disclosed
US-6372854-B1 POLYALKENAMERS USED AS PHOTORESISTS HAVING EXCELLENT OPTICAL ELECTRICAL PROPERTIES; HIGH RIGIDITY; HEAT RESISTANCE; ADHESION AND WEAR RESISTANCE; HYDROGENATION; ACIDOLYSIS MITSUI CHEMICALS, INC. (JP) 2002-04-16 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-20090124772-A1 PROCESS FOR PRODUCING ORGANIC TRANSITION METAL COMPLEX COMPOUND, METATHESIS CATALYST PRODUCED BY USING THE SAME, RING-OPENING METATHESIS POLYMER OBTAINABLE WITH THE METATHESIS CATALYST, AND PROCESS FOR PRODUCING THE POLYMER PORCN, ICMT, ME1 KMT2A 1194/4885CA1 1582/4885CA2 1084/4885

“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.