SCHEMBL8404592

SCHEMBL8404592

Cc1ccc(C)c2c1C=CCO2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A1 P04798 1/20 0.31

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
SCHEMBL9422414 0.81 CYP1A2 (0.33) CYP1A2CYP1B1
SCHEMBL24437009 0.81 CYP1A2 (0.33) CYP1A2CYP1B1
SCHEMBL19297003 0.81 CYP1A2 (0.33) CYP1A2CYP1B1
SCHEMBL19814039 0.80 CYP1A2 (0.39) CYP1A2CYP1B1CYP1A1
SCHEMBL14281222 0.71 CA1 (0.36) CYP1A2CYP1B1CA1CA9CYP1A1
SCHEMBL12043463 0.71 CYP2B6 (0.42) CYP1A2CYP1B1CA1CA9CYP1A1
SCHEMBL8404603 0.71 CYP1A2 (0.50) CYP1A2CYP1B1CA1CA9CYP1A1
SCHEMBL8215841 0.71 CYP1A2 (0.46) CYP1A2CYP1B1CA1CA9CYP1A1
SCHEMBL8404587 0.71 CYP1A2 (0.37) CYP1A2CYP1B1CA1CA9CYP1A1
SCHEMBL1362915 0.70 CA1 (0.34) CYP1A2CYP1B1CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284136-A1 INDOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2019-09-19 US disclosed
WO-2018020357-A1 INDOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2018-02-01 WO disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
EP-2218716-B1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-11-16 EP disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-8895768-B2 Cyclopara (hetero) arylene compound and method for producing same KYOTO UNIVERSITY (JP) 2014-11-25 US disclosed
US-8895768-B2 Cyclopara (hetero) arylene compound and method for producing same KYOTO UNIVERSITY (JP) 2014-11-25 US disclosed
US-20140227780-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-08-14 US disclosed
US-20140227780-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-08-14 US disclosed
US-20120220790-A1 CYCLOPARA (HETERO) ARYLENE COMPOUND AND METHOD FOR PRODUCING SAME KYOTO UNIVERSITY (JP) 2012-08-30 US disclosed
EP-2484656-A1 CYCLOPARA(HETERO)ARYLENE COMPOUND AND METHOD FOR PRODUCING SAME Kyoto University (JP) 2012-08-08 EP disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
EP-2439204-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER Nissan Chemical Industries, Ltd. (JP) 2012-04-11 EP disclosed
WO-2010140685-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER 日産化学工業株式会社 (JP) 2010-12-09 WO disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
EP-2218716-A1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-08-18 EP disclosed
US-20080020148-A1 Chromane Derivatives Method for Production and the Use Thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-01-24 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-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 CYP1A2 2162/4885CYP1B1 474/4885CA1 3645/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 CYP1A2 2808/4885CYP1B1 1090/4885CA1 4256/4885
US-20120220790-A1 CYCLOPARA (HETERO) ARYLENE COMPOUND AND METHOD FOR PRODUCING SAME AHR, AR, CYP2A13 CYP1A2 8/4885CYP1B1 14/4885CA1 2584/4885
US-20080020148-A1 Chromane Derivatives Method for Production and the Use Thereof C1S, CHRM1, C1R CYP1A2 39/4885CYP1B1 99/4885CA1 211/4885
US-20190284136-A1 INDOLINE DERIVATIVES IRF3, EIF2AK2, MAVS CYP1A2 362/4885CYP1B1 691/4885CA1 3170/4885

“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.