SCHEMBL517247

SCHEMBL517247

[CH2]C(C)c1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.63
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
ATM Q13315 1/20 0.48
MMP9 P14780 1/20 0.46
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
AOC3 Q16853 2/20 0.44
CYP2A6 P11509 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
Naphthalene SCHEMBL9636781 0.83 UGT2B7 (0.71) UGT2B7MEN1KMT2ACYP1A2CYP2D6
Naphthalene SCHEMBL29078859 0.83 UGT2B7 (0.71) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL9179436 0.83 UGT2B7 (0.71) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL29555341 0.83 UGT2B7 (0.71) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL30928206 0.83 UGT2B7 (0.71) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL599956 0.83 UGT2B7 (0.71) UGT2B7MEN1KMT2ACYP1A2CYP2D6
Water SCHEMBL9839828 0.81 UGT2B7 (0.68) UGT2B7MEN1KMT2ACYP1A2CYP2D6
Lithium SCHEMBL31073549 0.81 UGT2B7 (0.68) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL3719647 0.79 PTGS1 (0.45) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL2491495 0.79 UGT2B7 (0.65) UGT2B7MEN1KMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
CN-103339111-A Bicyclic acetyl-CoA carboxylase inhibitors NOVARTIS AG 2013-10-02 CN disclosed
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP disclosed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-8294142-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2012-10-23 US disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
CN-102666490-A Aminopyridine compound UBE INDUSTRIES 2012-09-12 CN disclosed
EP-0377139-B1 N-substituted acylamino acid compounds, process for their production and their use BANYU PHARMA CO LTD (JP) 1995-07-12 EP disclosed
US-5424309-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US disclosed
CN-1051178-A New heterogeneous ring compound and preparation method thereof YAMANOUCHI PHARMA CO LTD (JP) 1991-05-08 CN disclosed
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 EP disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
EP-0241160-A2 Developing method KABUSHIKI KAISHA TOSHIBA (JP) 1987-10-14 EP disclosed
US-4221918-A CATALYTIC HYDROGENATION OF CARBOXYLIC ANHYDRIDES CHEVRON RESEARCH COMPANY (US) 1980-09-09 US disclosed
US-4104036-A TO IMPROVE OCTANE RATING ATLANTIC RICHFIELD COMPANY (US) 1978-08-01 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 (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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY UGT2B7 397/4885MEN1 3950/4885KMT2A 2537/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR UGT2B7 2043/4885MEN1 1351/4885KMT2A 2691/4885

“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.