SCHEMBL9630941

SCHEMBL9630941

CCCC(C)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.68
AKR1C3 P42330 7/20 0.53
AKR1C2 P52895 7/20 0.53
PTGS2 P35354 3/20 0.53
PTGS1 P23219 3/20 0.53
TSHR P16473 2/20 0.53
CDC42 P60953 1/20 0.53
RAC1 P63000 1/20 0.53
CYP1A2 P05177 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
AKR1C1 Q04828 1/20 0.53
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX5 P09917 2/20 0.47

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
SCHEMBL14762411 0.90 ABCB11 (0.64) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL8719952 0.89 ABCB11 (0.62) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL9629972 0.87 ABCB11 (0.60) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL14769512 0.87 ABCB11 (0.60) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL9009741 0.86 ABCB11 (0.72) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL28346869 0.86 ABCB11 (0.72) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL28343944 0.83 ALDH1A1 (0.50) ABCB11TSHRCYP1A2MAPTTDP1
SCHEMBL10052129 0.83 ALDH1A1 (0.50) ABCB11TSHRCYP1A2MAPTTDP1
SCHEMBL14783039 0.82 ABCB11 (0.71) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL14783480 0.81 ABCB11 (0.69) ABCB11AKR1C3AKR1C2PTGS2PTGS1

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-9911927-B2 Compounds having semiconducting properties and related compositions and devices FLEXTERRA, INC. (US) 2018-03-06 US disclosed
US-9911927-B2 Compounds having semiconducting properties and related compositions and devices FLEXTERRA, INC. (US) 2018-03-06 US disclosed
US-9911927-B2 Compounds having semiconducting properties and related compositions and devices FLEXTERRA, INC. (US) 2018-03-06 US disclosed
US-20160351832-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices USINVEST LLC 2016-12-01 US disclosed
US-20160351832-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices USINVEST LLC 2016-12-01 US disclosed
US-20160351832-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices USINVEST LLC 2016-12-01 US disclosed
EP-2755978-A1 COMPOUNDS HAVING SEMICONDUCTING PROPERTIES AND RELATED COMPOSITIONS AND DEVICES Polyera Corporation (US) 2014-07-23 EP disclosed
WO-2013039842-A1 COMPOUNDS HAVING SEMICONDUCTING PROPERTIES AND RELATED COMPOSITIONS AND DEVICES POLYERA CORPORATION (US) 2013-03-21 WO disclosed
US-20130062598-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices POLYERA CORPORATION 2013-03-14 US disclosed
US-20130062598-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices POLYERA CORPORATION 2013-03-14 US disclosed
US-20130062598-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices POLYERA CORPORATION 2013-03-14 US disclosed
EP-0274146-B1 PROCESS FOR THE PREPARATION OF 2-ARYLPROPIONIC ACIDS GIST-BROCADES N.V. (NL) 1992-04-01 EP disclosed
EP-0274146-A1 Process for the preparation of 2-arylpropionic acids GIST-BROCADES N.V. (NL) 1988-07-13 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-20130062598-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices NES, KCNN2, MYB ABCB11 1025/4885AKR1C3 4789/4885AKR1C2 4637/4885
US-20160351832-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices NES, KCNN2, MYB ABCB11 1025/4885AKR1C3 4789/4885AKR1C2 4637/4885

“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.