SCHEMBL444834

SCHEMBL444834

c1cc2ccc3cncc4ccc(c1)c2c34

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
HSD17B10 Q99714 6/20 0.65
TSHR P16473 5/20 0.65
HPGD P15428 5/20 0.65
CYP3A4 P08684 4/20 0.65
CYP1A2 P05177 4/20 0.65
CYP1A1 P04798 2/20 0.65
CYP1B1 Q16678 2/20 0.65
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.39
ATM Q13315 1/20 0.39

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
Hydrochloric Acid SCHEMBL8740411 0.97 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL153438 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL30459308 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Hydrochloric Acid SCHEMBL9672661 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Hydrochloric Acid SCHEMBL9672648 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL20698427 0.84 CYP1A2 (0.46) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL19534727 0.82 CYP1A2 (0.44) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Pyrene SCHEMBL1332849 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Pyrene SCHEMBL9130 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Pyrene SCHEMBL223412 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10TSHRHPGDCYP3A4

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907376-B Molecular machine based on bi-m-benzene-32-crown-10 main body cave ether and preparation method thereof 浙江大学杭州国际科创中心 2024-01-23 CN claimed
CN-114907376-A Molecular machine based on bis-m-benzene-32-crown-10 main body cryptand and preparation method thereof 浙江大学杭州国际科创中心 2022-08-16 CN claimed
US-9207234-B2 Thermally stable SERS taggants SICPA HOLDING SA (CH) 2015-12-08 US claimed
EP-2627732-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES Merck Patent GmbH (DE) 2013-08-21 EP claimed
WO-2012048900-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. . (DE) 2012-04-19 WO claimed
EP-2433121-A1 THERMALLY STABLE SERS TAGGANTS Cabot Security Materials Inc. (US) 2012-03-28 EP claimed
US-20120062886-A1 Thermally Stable SERS Taggants CABOT SECURITY MATERIALS INC. (US) 2012-03-15 US claimed
WO-2010135351-A1 THERMALLY STABLE SERS TAGGANTS OXONICA MATERIALS INC. (US) 2010-11-25 WO claimed
EP-0698226-A4 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN INC (US) 1997-02-12 EP claimed
EP-0698226-A1 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN, INCORPORATED (US) 1996-02-28 EP claimed
US-20240215439-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2024-06-27 US disclosed
US-20240215439-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2024-06-27 US disclosed
US-20240208948-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2024-06-27 US disclosed
US-20240208948-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2024-06-27 US disclosed
US-20240074304-A1 ORGANIC ELECTROLUMINESCENT DEVICE EMITTING BLUE LIGHT SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-29 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed
EP-1084126-A1 NOVEL VINCA-ALKALOID DERIVATIVES AND PREPARATION METHOD Roowin, S.A. (FR) 2001-03-21 EP disclosed
WO-1999062912-A1 NOVEL VINCA-ALKALOID DERIVATIVES AND PREPARATION METHOD ROOWIN S.A. (FR) 1999-12-09 WO disclosed
EP-0698226-A4 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN INC (US) 1997-02-12 EP disclosed
EP-0698226-A1 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN, INCORPORATED (US) 1996-02-28 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-20240215439-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OCIAD2, OR10J3, EPCAM ALDH1A1 649/4885HSD17B10 3517/4885TSHR 4166/4885
US-20240208948-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES L1CAM, OCIAD2, EPCAM ALDH1A1 478/4885HSD17B10 3563/4885TSHR 4205/4885

“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.