SCHEMBL1338258

SCHEMBL1338258

CCCCN(CCCC)C(F)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
DNM1 Q05193 7/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALDH2 P05091 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
THRB P10828 1/20 0.32
CES2 O00748 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
EPHX1 P07099 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
SCHEMBL1336594 0.92 DNM1 (0.43) DNM1TSHRALDH1A1CA12CA1
SCHEMBL7697421 0.89 DNM1 (0.48) DNM1TSHRALDH1A1CA12CA1
SCHEMBL1336606 0.81 FDPS (0.40) CA1
SCHEMBL14577078 0.76 MMP1 (0.31) MMP1MMP2MMP3MMP8
SCHEMBL18476250 0.74 MMP1 (0.30) MMP1MMP2MMP3MMP8
SCHEMBL865548 0.73 MMP1 (0.36) MMP1MMP2MMP3MMP8DNM1
SCHEMBL27801853 0.73 CA12 (0.39) DNM1TSHRLMNAALDH1A1ALDH2
SCHEMBL10583794 0.73 MMP1 (0.36) MMP1MMP2MMP3MMP8DNM1
SCHEMBL11195464 0.71 MMP1 (0.34) MMP1MMP2MMP3MMP8DNM1
Hydrochloric Acid SCHEMBL1428262 0.71 DNM1 (0.38) MMP1MMP2MMP3MMP8DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
US-7307185-B2 Process for producing optically active fluorochemical MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-12-11 US disclosed
US-20070191631-A1 Process for producing optically active fluorochemical MITSUBISHI GAS CHEMICAL COMPANY (JP) 2007-08-16 US disclosed
EP-1721885-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE FLUOROCHEMICAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-11-15 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 (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-20070191631-A1 Process for producing optically active fluorochemical PFAS, CYP4F3, CYP3A43 MMP1 1364/4885MMP2 1345/4885MMP3 1229/4885
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO MMP1 4728/4885MMP2 4330/4885MMP3 4674/4885

“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.