SCHEMBL331670

SCHEMBL331670

Clc1ccc(Cl)c(I)c1I

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 5/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.37
AHR P35869 2/20 0.37
NOTUM Q6P988 1/20 0.36
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1B1 Q16678 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
SCHEMBL10873226 0.82 CYP3A4 (0.41) CYP2A6CYP1A2TSHRLMNATP53
SCHEMBL171713 0.80
SCHEMBL16758832 0.77 ALDH1A1 (0.39) CYP2A6CYP1A2NOTUMALDH1A1
SCHEMBL3870951 0.73 TSHR (0.39) TSHRTP53NOTUMCYP3A4HSD17B10
SCHEMBL20579989 0.73 ALDH1A1 (0.41) CYP1A2TSHRLMNANOTUMCYP3A4
SCHEMBL10664478 0.70
SCHEMBL22892769 0.69 AR (0.38) TSHRCYP3A4HSD17B10MAPK1ALDH1A1
SCHEMBL31284275 0.69 CYP2A6 (0.60) CYP2A6CYP1A2TSHRLMNACYP3A4
SCHEMBL22289556 0.69 KDM1A (0.31) NOTUM
SCHEMBL31489883 0.69 KDM1A (0.31) NOTUM

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-8097694-B2 Organic semiconductor thin films using aromatic enediyne derivatives and manufacturing methods thereof, and electronic devices incorporating such films SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-01-17 US disclosed
US-8097694-B2 Organic semiconductor thin films using aromatic enediyne derivatives and manufacturing methods thereof, and electronic devices incorporating such films SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-01-17 US disclosed
US-8097694-B2 Organic semiconductor thin films using aromatic enediyne derivatives and manufacturing methods thereof, and electronic devices incorporating such films SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-01-17 US disclosed
US-20090263932-A1 Organic semiconductor thin films using aromatic enediyne derivatives and manufacturing methods thereof, and electronic devices incorporating such films JEONG EUN JEONG 2009-10-22 US disclosed
US-7534899-B2 Aromatic enediyne derivatives, organic semiconductor thin films using the same and manufacturing methods thereof, and electronic devices incorporating such films SMASUNG ELECTRONICS CO., LTD. (KR) 2009-05-19 US disclosed
US-7534899-B2 Aromatic enediyne derivatives, organic semiconductor thin films using the same and manufacturing methods thereof, and electronic devices incorporating such films SMASUNG ELECTRONICS CO., LTD. (KR) 2009-05-19 US disclosed
US-7534899-B2 Aromatic enediyne derivatives, organic semiconductor thin films using the same and manufacturing methods thereof, and electronic devices incorporating such films SMASUNG ELECTRONICS CO., LTD. (KR) 2009-05-19 US disclosed
US-20070120120-A1 Aromatic enediyne derivatives, organic semiconductor thin films using the same and manufacturing methods thereof, and electronic devices incorporating such films SAMSUNG ELECTRONICS CO., LTD. 2007-05-31 US disclosed
US-20070120120-A1 Aromatic enediyne derivatives, organic semiconductor thin films using the same and manufacturing methods thereof, and electronic devices incorporating such films SAMSUNG ELECTRONICS CO., LTD. 2007-05-31 US disclosed
US-20070120120-A1 Aromatic enediyne derivatives, organic semiconductor thin films using the same and manufacturing methods thereof, and electronic devices incorporating such films SAMSUNG ELECTRONICS CO., LTD. 2007-05-31 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-20070120120-A1 Aromatic enediyne derivatives, organic semiconductor thin films using the same and manufacturing methods thereof, and electronic devices incorporating such films EED, TYR, NES CYP2A6 1747/4885CYP1A2 1431/4885TSHR 2713/4885

“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.