SCHEMBL7602622

SCHEMBL7602622

CC1=Nc2ccc(C)cc2C1(C)CCCCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 2/20 0.36
LTB4R Q15722 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
FABP4 P15090 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMO O15229 1/20 0.33
MAPK1 P28482 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
SCHEMBL14048648 0.99 TSHR (0.40) ALDH1A1KDM4ELMNATSHRKMT2A
SCHEMBL22423614 0.90 TSHR (0.39) ALDH1A1KDM4ELMNATSHRKMT2A
SCHEMBL17483208 0.86 HDAC8 (0.36) ALDH1A1KDM4ELMNATSHRKMT2A
SCHEMBL881201 0.85 ALDH1A1 (0.35) ALDH1A1GAAAPEX1FABP4MAPK1
SCHEMBL1714142 0.84 HDAC3 (0.40) ALDH1A1APEX1MAPK1
SCHEMBL13264906 0.84 CYP26B1 (0.35) ALDH1A1GAAAPEX1TDP1FABP4
SCHEMBL10037947 0.84 TSHR (0.36) ALDH1A1KDM4ELMNATSHRKMT2A
SCHEMBL24934384 0.83 ALDH1A1 (0.41) ALDH1A1LTB4R
SCHEMBL2721464 0.83 P2RX3 (0.35) ALDH1A1GAAAPEX1TDP1FABP4
SCHEMBL14048649 0.83 APEX1 (0.39) ALDH1A1APEX1FABP4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9423323-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2016-08-23 US disclosed
US-20150247785-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2015-09-03 US disclosed
US-20150218380-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2015-08-06 US disclosed
US-9018396-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2015-04-28 US disclosed
US-8569506-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2013-10-29 US disclosed
US-8426618-B2 Luminescence quenching compounds ANASPEC INCORPORATED (US) 2013-04-23 US disclosed
US-20120288871-A1 Modified Carbocyanine Dyes and Their Conjugates Life Technologies Corporation (US) 2012-11-15 US disclosed
US-8252932-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2012-08-28 US disclosed
US-20120123109-A1 Luminescence quenching compounds ANASPEC INCORPORATED (US) 2012-05-17 US disclosed
US-20110171678-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation (US) 2011-07-14 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 (5 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-20110171678-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 ALDH1A1 385/4885KDM4E 2829/4885LMNA 2822/4885
US-20120288871-A1 Modified Carbocyanine Dyes and Their Conjugates IK, CBR3, DRD5 ALDH1A1 385/4885KDM4E 2829/4885LMNA 2822/4885
US-20120123109-A1 Luminescence quenching compounds ABCG2, TYR, GFPT1 ALDH1A1 430/4885KDM4E 2017/4885LMNA 2631/4885
US-20150218380-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 ALDH1A1 385/4885KDM4E 2829/4885LMNA 2822/4885
US-20150247785-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 ALDH1A1 385/4885KDM4E 2829/4885LMNA 2822/4885

“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.