SCHEMBL533273

SCHEMBL533273

CC(C)Oc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.45
PTPN5 P54829 1/20 0.45
KMT2A Q03164 1/20 0.44
ERN1 O75460 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
PARP10 Q53GL7 1/20 0.42
MCL1 Q07820 1/20 0.41
NOTUM Q6P988 1/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
MAP4K4 O95819 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
GLA P06280 1/20 0.39
MMP1 P03956 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
SCHEMBL128347 0.86 ALDH1A3 (0.46) ALDH1A3PTPN5KMT2APARP10NOTUM
SCHEMBL197284 0.86 ALDH1A3 (0.56) ALDH1A3PTPN5KMT2AERN1ACACB
SCHEMBL27899588 0.84 ALDH1A3 (0.45) ALDH1A3PTPN5KMT2APARP10NOTUM
SCHEMBL4735563 0.83 ALDH1A3 (0.45) ALDH1A3KMT2AACACBACACAPARP10
SCHEMBL14817450 0.79 ACACB (0.59) ALDH1A3PTPN5KMT2AACACBACACA
SCHEMBL534096 0.79 RXRA (0.59) PTPN5KMT2AGAAMAP4K4RXRA
SCHEMBL533293 0.78 DRD1 (0.33) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL533356 0.78 DRD1 (0.55) KMT2AGAAPKMALDH1A1
SCHEMBL125543 0.78 ALDH1A3 (0.64) ALDH1A3PTPN5KMT2APARP10NOTUM
SCHEMBL8364605 0.77 KMT2A (0.49) ALDH1A3PTPN5KMT2AACACBACACA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019028104-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ALPHALA CO., LTD. (TW) 2019-02-07 WO disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 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 (3 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ALDH1A3 1721/4885PTPN5 2670/4885KMT2A 723/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ALDH1A3 1527/4885PTPN5 2734/4885KMT2A 820/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 ALDH1A3 580/4885PTPN5 2934/4885KMT2A 3385/4885

“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.